| Identification | |
| Name: | 5-[2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2(3H)-one |
| Synonyms: | 5-[2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2(3H)-one;5-[Cyclopropylcarbonyl-2-flurobenzyl)-2-oxo-2, 4, 5, 6, 7, 7a-hexahydrothieno [3, 2-c]-pyridine |
| CAS: | 951380-42-0 |
| Molecular Formula: | C18H18FNO2S |
| Molecular Weight: | 331.40 |
| InChI: | InChI=1/C18H18FNO2S/c19-14-4-2-1-3-13(14)17(18(22)11-5-6-11)20-8-7-15-12(10-20)9-16(21)23-15/h1-4,11,17H,5-10H2 |
| Molecular Structure: | ![(C18H18FNO2S) 5-[2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2(3H)-one;5-[...](https://img.guidechem.com/structureimg/951380-42-0.gif) |
| Properties | |
| Density: | 1.36 |
| Refractive index: | 1.64 |
| Specification: |
The 5-[2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2(3H)-one with cas registry number of 951380-42-0, has the systematic name of thieno[3,2-c]pyridin-2(3H)-one, 5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydro-. Physical properties about this chemical are: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.38; (4)ACD/LogD (pH 7.4): 2.38; (5)ACD/BCF (pH 5.5): 38.12; (6)ACD/BCF (pH 7.4): 38.24; (7)ACD/KOC (pH 5.5): 471.02; (8)ACD/KOC (pH 7.4): 472.44; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 62.68 Å2; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 87.84 cm3; (15)Molar Volume: 243.5 cm3; (16)Polarizability: 34.82×10-24cm3; (17)Surface Tension: 56.7 dyne/cm; (18)Enthalpy of Vaporization: 72.35 kJ/mol; (19)Vapour Pressure: 9.83E-09 mmHg at 25°C. You can still convert the following datas into molecular structure: |
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