Product Name

5-[2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2(3H)-one 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: 
(1)SMILES: c1ccc(c(c1)C(C(=O)C2CC2)N3CCC4=C(C3)CC(=O)S4)F
(2)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
(3)InChIKey: ZIRLXIMCYJFTSB-UHFFFAOYAP
(4)Std. InChI: InChI=1S/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
(5)Std. InChIKey: ZIRLXIMCYJFTSB-UHFFFAOYSA-N

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