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Keywords
AT 7519 4-(2,6-Dichlorobenzoylamino)-1H-pyrazole-3-carboxylic acid N-(piperidin-4-yl)amide 4-(2,6-Dichlorobenzoylamino)-1H-pyrazole-3-carboxylic acid N-(piperidin-4-yl)amide
Quick Details
- Appearance:
- Application:The AT7519, with the CAS registry number 844442-38-2, is also known as 1H-Pyrazole-3-carboxamide, 4-[(2,6-dichlorobenzoyl)amino]-N-4-piperidinyl-. This chemical's molecular formula is C16H17Cl2N5O2 an
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- Transportation:The AT7519, with the CAS registry number 844442-38-2, is also known as 1H-Pyrazole-3-carboxamide, 4-[(2,6-dichlorobenzoyl)amino]-N-4-piperidinyl-. This chemical's molecular formula is C16H17Cl2N5O2 an
Superiority:
The AT7519, with the CAS registry number 844442-38-2, is also known as 1H-Pyrazole-3-carboxamide, 4-[(2,6-dichlorobenzoyl)amino]-N-4-piperidinyl-. This chemical's molecular formula is C16H17Cl2N5O2 and molecular weight is 382.24. What's more, its systematic name is 4-[(2,6-Dichlorobenzoyl)amino]-N-(piperidin-4-yl)-1H-pyrazole-5-carboxamide.
Physical properties about AT7519 are: (1)ACD/LogP: 1; (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 61.68 Å2; (11)Index of Refraction: 1.654; (12)Molar Refractivity: 94.37 cm3; (13)Molar Volume: 257.3 cm3; (14)Surface Tension: 72.4 dyne/cm; (15)Density: 1.48 g/cm3; (16)Flash Point: 308.2 °C; (17)Enthalpy of Vaporization: 87.53 kJ/mol; (18)Boiling Point: 586 °C at 760 mmHg; (19)Vapour Pressure: 1.03E-13 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NC1CCNCC1)c3c(NC(=O)c2c(Cl)cccc2Cl)cnn3
(2) InChI: InChI=1/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)
(3) InChIKey: OVPNQJVDAFNBDN-UHFFFAOYAM
Details:
The AT7519, with the CAS registry number 844442-38-2, is also known as 1H-Pyrazole-3-carboxamide, 4-[(2,6-dichlorobenzoyl)amino]-N-4-piperidinyl-. This chemical's molecular formula is C16H17Cl2N5O2 and molecular weight is 382.24. What's more, its systematic name is 4-[(2,6-Dichlorobenzoyl)amino]-N-(piperidin-4-yl)-1H-pyrazole-5-carboxamide.
Physical properties about AT7519 are: (1)ACD/LogP: 1; (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 61.68 Å2; (11)Index of Refraction: 1.654; (12)Molar Refractivity: 94.37 cm3; (13)Molar Volume: 257.3 cm3; (14)Surface Tension: 72.4 dyne/cm; (15)Density: 1.48 g/cm3; (16)Flash Point: 308.2 °C; (17)Enthalpy of Vaporization: 87.53 kJ/mol; (18)Boiling Point: 586 °C at 760 mmHg; (19)Vapour Pressure: 1.03E-13 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NC1CCNCC1)c3c(NC(=O)c2c(Cl)cccc2Cl)cnn3
(2) InChI: InChI=1/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)
(3) InChIKey: OVPNQJVDAFNBDN-UHFFFAOYAM
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