ethyl 1-[4-({[4-(propan-2-yl)-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[4-({[4-(propan-2-yl)-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-4-carboxylate
ethyl 1-[4-({[4-(propan-2-yl)-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V028-2920 |
| Compound Name: | ethyl 1-[4-({[4-(propan-2-yl)-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-4-carboxylate |
| Molecular Weight: | 496.67 |
| Molecular Formula: | C27 H36 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCN(CC1)C(c1ccc(CSc2nc(cc(n2)N2CCCC2)C(C)C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9881 |
| logD: | 4.9876 |
| logSw: | -4.6258 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.944 |
| InChI Key: | BQQCTBJQBQTRAR-UHFFFAOYSA-N |