ethyl 1-(4-{[(4-methyl-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-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperidine-3-carboxylate
ethyl 1-(4-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V024-9934 |
| Compound Name: | ethyl 1-(4-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperidine-3-carboxylate |
| Molecular Weight: | 627.73 |
| Molecular Formula: | C32 H36 F3 N5 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCCN(C1)C(c1ccc(CSc2nc(C)cc(n2)N2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8346 |
| logD: | 5.8343 |
| logSw: | -5.4911 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.578 |
| InChI Key: | ZNYNQQWSFCEDJA-VWLOTQADSA-N |