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Name
2-{[4-(morpholin-4-ylsulfonyl)phenyl]amino}-2-oxoethyl 3-methoxynaphthalene-2-carboxylate
- EINECS
- CAS No. 5557-49-3
- Density 1.51 g/cm3
- Solubility
- Melting Point
- Formula C20H12N4O2S2
- Boiling Point 528.1 °C at 760 mmHg
- Molecular Weight 404.473
- Flash Point 273.2 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms NSC69060;2,7-Diphenyl[1,4]dithiino[2,3-d:5,6-d']dipyridazine-1,6(2H,7H)-dione;
- PSA
- LogP
p-Dithiino[2,3-d:5,6-d']dipyridazine-1,6(2H,7H)-dione, 2,7-diphenyl- (7CI,8CI) Specification
The p-Dithiino[2,3-d:5,6-d']dipyridazine-1,6(2H,7H)-dione, 2,7-diphenyl- (7CI,8CI), with the CAS registry number 5557-49-3, is also known as NSC69060. This chemical's molecular formula is C20H12N4O2S2 and molecular weight is 404.46. What's more, its systematic name is 2,7-Diphenyl[1,4]dithiino[2,3-d:5,6-d']dipyridazine-1,6(2H,7H)-dione.
Physical properties of p-Dithiino[2,3-d:5,6-d']dipyridazine-1,6(2H,7H)-dione, 2,7-diphenyl- (7CI,8CI) are: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 115.94 Å2; (7)Index of Refraction: 1.794; (8)Molar Refractivity: 113.31 cm3; (9)Molar Volume: 266.4 cm3; (10)Polarizability: 44.92×10-24 cm3; (11)Surface Tension: 70 dyne/cm; (12)Density: 1.51 g/cm3; (13)Flash Point: 273.2 °C; (14)Enthalpy of Vaporization: 80.28 kJ/mol; (15)Boiling Point: 528.1 °C at 760 mmHg; (16)Vapour Pressure: 3.07E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C3C=1SC=4\C=N/N(C(=O)C=4SC=1\C=N/N3c2ccccc2)c5ccccc5
(2)InChI: InChI=1S/C20H12N4O2S2/c25-19-17-15(11-21-23(19)13-7-3-1-4-8-13)28-18-16(27-17)12-22-24(20(18)26)14-9-5-2-6-10-14/h1-12H
(3)InChIKey: ZGXQGELEHYNGLJ-UHFFFAOYSA-N
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