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| CAS No.: | 860352-01-8 |
|---|---|
| Name: | 3-[(Aminocarbonyl)amino]-5-(3-fluorophenyl)-N-(3S)-3-piperidinyl-2-Thiophenecarboxamide |
| Molecular Structure: | |
![Molecular Structure of 860352-01-8 (3-[(Aminocarbonyl)amino]-5-(3-fluorophenyl)-N-(3S)-3-piperidinyl-2-Thiophenecarboxamide)](http://www.lookchem.com/300w/201001/img/860352-01-8.jpg_ms) |
|
| Formula: | C17H19FN4O2S |
| Molecular Weight: | 362.42 |
| Synonyms: | 5-(3-Fluorophenyl)-3-ureidothiophene-N-[(S)-piperidin-3-yl]-2-carboxamide;3-[(Aminocarbonyl)amino]-5-(3-fluorophenyl)-N-(3S)-3-piperidinyl-2-Thiophenecarboxamide; |
| Density: | 1.38 g/cm3 |
| Boiling Point: | 547.6 °C at 760 mmHg |
| Flash Point: | 285 °C |
| PSA: | 124.49000 |
| LogP: | 4.82160 |
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Specification
The AZD 7762 with the CAS number 860352-01-8 is also called 5-(3-Fluorophenyl)-3-ureidothiophene-N-[(S)-piperidin-3-yl]-2-carboxamide. The systematic name is 3-(carbamoylamino)-5-(3-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide. Its molecular formula is C17H19FN4O2S.
The properties of the AZD 7762 are: (1)ACD/LogP: 3.45; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.36; (4)ACD/LogD (pH 7.4): 1.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.48; (8)ACD/KOC (pH 7.4): 6.51; (9)#H bond acceptors: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 75.34 Å2; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 94.86 cm3; (15)Molar Volume: 260.7 cm3; (16)Polarizability: 37.6×10-24cm3; (17)Surface Tension: 64.7 dyne/cm; (18)Enthalpy of Vaporization: 82.69 kJ/mol; (19)Vapour Pressure: 4.82×10-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1sc(cc1NC(=O)N)c2cccc(F)c2)N[C@H]3CCCNC3
(2)InChI: InChI=1/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1
(3)InChIKey: IAYGCINLNONXHY-LBPRGKRZBO