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| CAS No.: | 728033-96-3 |
|---|---|
| Name: | OSI-930 |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C22H16F3N3O2S |
| Molecular Weight: | 443.449 |
| Synonyms: | 3-[(4-Quinolinylmethyl)amino]-N-[4-(trifluoromethoxy)phenyl]-2-thiophenecarboxamide;3-[(quinolin-4-ylmethyl)amino]-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide;OSI-930; |
| Density: | 1.451 g/cm3 |
| Boiling Point: | 517.449 °C at 760 mmHg |
| Flash Point: | 266.743 °C |
| PSA: | 91.49000 |
| LogP: | 6.20530 |
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Specification
The OSI-930, with the CAS registry number 728033-96-3, is also known as 3-[(4-Quinolinylmethyl)amino]-N-[4-(trifluoromethoxy)phenyl]-2-thiophenecarboxamide. This chemical's molecular formula is C22H16F3N3O2S and molecular weight is 443.44. What's more, its systematic name is 3-[(quinolin-4-ylmethyl)amino]-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide.
Physical properties of OSI-930 are: (1)ACD/LogP: 5.09; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 3884; (6)ACD/BCF (pH 7.4): 5064; (7)ACD/KOC (pH 5.5): 11955; (8)ACD/KOC (pH 7.4): 15587; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 91.49 Å2; (13)Index of Refraction: 1.687; (14)Molar Refractivity: 116.379 cm3; (15)Molar Volume: 305.675 cm3; (16)Polarizability: 46.136×10-24 cm3; (17)Surface Tension: 56.852 dyne/cm; (18)Density: 1.451 g/cm3; (19)Flash Point: 266.743 °C; (20)Enthalpy of Vaporization: 78.976 kJ/mol; (21)Boiling Point: 517.449 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: FC(F)(F)Oc1ccc(cc1)NC(=O)c4sccc4NCc2ccnc3c2cccc3
(2)InChI: InChI=1/C22H16F3N3O2S/c23-22(24,25)30-16-7-5-15(6-8-16)28-21(29)20-19(10-12-31-20)27-13-14-9-11-26-18-4-2-1-3-17(14)18/h1-12,27H,13H2,(H,28,29)
(3)InChIKey: FGTCROZDHDSNIO-UHFFFAOYAT