ethyl 1-[4-({[4-(pyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[4-({[4-(pyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate
ethyl 1-[4-({[4-(pyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V016-0121 |
| Compound Name: | ethyl 1-[4-({[4-(pyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate |
| Molecular Weight: | 522.59 |
| Molecular Formula: | C25 H29 F3 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCCN(C1)C(c1ccc(CSc2nc(cc(n2)N2CCCC2)C(F)(F)F)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6945 |
| logD: | 4.6945 |
| logSw: | -4.4745 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.877 |
| InChI Key: | UVQIFHLRHOXCQE-IBGZPJMESA-N |