ethyl 1-{4-[({4-[benzyl(methyl)amino]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{4-[({4-[benzyl(methyl)amino]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate
ethyl 1-{4-[({4-[benzyl(methyl)amino]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V026-3398 |
| Compound Name: | ethyl 1-{4-[({4-[benzyl(methyl)amino]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate |
| Molecular Weight: | 546.73 |
| Molecular Formula: | C31 H38 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCCN(C1)C(c1ccc(CSc2nc(cc(n2)N(C)Cc2ccccc2)C(C)C)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9193 |
| logD: | 5.8651 |
| logSw: | -5.4005 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.014 |
| InChI Key: | RBMAMVCZQGCABO-SANMLTNESA-N |