ethyl 1-[3-({[4-(2-methylpiperidin-1-yl)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[3-({[4-(2-methylpiperidin-1-yl)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-4-carboxylate
ethyl 1-[3-({[4-(2-methylpiperidin-1-yl)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V024-0285 |
| Compound Name: | ethyl 1-[3-({[4-(2-methylpiperidin-1-yl)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-4-carboxylate |
| Molecular Weight: | 524.73 |
| Molecular Formula: | C29 H40 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCN(CC1)C(c1cccc(CSc2nc(cc(n2)N2CCCCC2C)C(C)C)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.579 |
| logD: | 5.579 |
| logSw: | -5.276 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.863 |
| InChI Key: | WFGLIUTUKMNZSL-NRFANRHFSA-N |