-
Name
TAK-715
- EINECS
- CAS No. 303162-79-0
- Article Data1
- CAS DataBase
- Density 1.233 g/cm3
- Solubility
- Melting Point
- Formula C24H21N3OS
- Boiling Point 491.036 °C at 760 mmHg
- Molecular Weight 399.516
- Flash Point 250.77 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms TAK 715; Kinome_2655; N-(4-(2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl)-2-pyridyl)benzamide; cc-467; UNII-WE92U03C5Z;
- PSA 86.61000
- LogP 6.37920
TAK-715 Specification
The TAK-715 is an organic compound with the formula C24H21N3OS. The systematic name of this chemical is N-{4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-yl}benzamide. With the CAS registry number 303162-79-0, it is also named as benzamide, N-[4-[2-ethyl-4-(3-methylphenyl)-5-thiazolyl]-2-pyridinyl]-.
Physical properties about TAK-715 are: (1)ACD/LogP: 4.39; (2)ACD/LogD (pH 5.5): 5; (3)ACD/LogD (pH 7.4): 5; (4)ACD/BCF (pH 5.5): 1588; (5)ACD/BCF (pH 7.4): 1590; (6)ACD/KOC (pH 5.5): 6800; (7)ACD/KOC (pH 7.4): 6811; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 83.12 Å2; (12)Index of Refraction: 1.656; (13)Molar Refractivity: 118.953 cm3; (14)Molar Volume: 323.893 cm3; (15)Polarizability: 47.157×10-24cm3; (16)Surface Tension: 54.319 dyne/cm; (17)Density: 1.233 g/cm3; (18)Flash Point: 250.77 °C; (19)Enthalpy of Vaporization: 75.768 kJ/mol; (20)Boiling Point: 491.036 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)Nc4nccc(c3sc(nc3c2cc(ccc2)C)CC)c4
(2)InChI: InChI=1/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)
(3)InChIKey: HEKAIDKUDLCBRU-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)
(5)Std. InChIKey: HEKAIDKUDLCBRU-UHFFFAOYSA-N
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