ethyl 1-(4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-(4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperidine-3-carboxylate
ethyl 1-(4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V027-0733 |
| Compound Name: | ethyl 1-(4-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperidine-3-carboxylate |
| Molecular Weight: | 641.76 |
| Molecular Formula: | C33 H38 F3 N5 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCCN(C1)C(c1ccc(CSc2nc(C)c(C)c(n2)N2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0815 |
| logD: | 6.0798 |
| logSw: | -5.4937 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.818 |
| InChI Key: | XJEHNPWEYONMPA-SANMLTNESA-N |