ethyl 1-(4-{[(4-phenyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(4-{[(4-phenyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperidine-4-carboxylate
ethyl 1-(4-{[(4-phenyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V002-9322 |
| Compound Name: | ethyl 1-(4-{[(4-phenyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperidine-4-carboxylate |
| Molecular Weight: | 689.8 |
| Molecular Formula: | C37 H38 F3 N5 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCN(CC1)C(c1ccc(CSc2nc(cc(n2)N2CCN(CC2)c2cccc(c2)C(F)(F)F)c2ccccc2)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.5435 |
| logD: | 7.5432 |
| logSw: | -5.6957 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.567 |
| InChI Key: | VCFAEXMZNYAZMG-UHFFFAOYSA-N |