ethyl 1-{4-[({4-[methyl(propyl)amino]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{4-[({4-[methyl(propyl)amino]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate
ethyl 1-{4-[({4-[methyl(propyl)amino]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V026-3376 |
| Compound Name: | ethyl 1-{4-[({4-[methyl(propyl)amino]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate |
| Molecular Weight: | 498.69 |
| Molecular Formula: | C27 H38 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCCN(C)c1cc(C(C)C)nc(n1)SCc1ccc(cc1)C(N1CCC(CC1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9828 |
| logD: | 4.9772 |
| logSw: | -4.5902 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.33 |
| InChI Key: | PIBHLWYLWOQCTI-UHFFFAOYSA-N |