ethyl 1-[3-({[4-(morpholin-4-yl)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[3-({[4-(morpholin-4-yl)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-4-carboxylate
ethyl 1-[3-({[4-(morpholin-4-yl)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V026-3785 |
| Compound Name: | ethyl 1-[3-({[4-(morpholin-4-yl)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-4-carboxylate |
| Molecular Weight: | 512.67 |
| Molecular Formula: | C27 H36 N4 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCN(CC1)C(c1cccc(CSc2nc(cc(n2)N2CCOCC2)C(C)C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4725 |
| logD: | 4.4721 |
| logSw: | -4.2818 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.487 |
| InChI Key: | KMRIGCMUWPRAJJ-UHFFFAOYSA-N |