ethyl 1-{3-[({4-[cyclohexyl(methyl)amino]-6-methylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{3-[({4-[cyclohexyl(methyl)amino]-6-methylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate
ethyl 1-{3-[({4-[cyclohexyl(methyl)amino]-6-methylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V024-8219 |
| Compound Name: | ethyl 1-{3-[({4-[cyclohexyl(methyl)amino]-6-methylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate |
| Molecular Weight: | 510.7 |
| Molecular Formula: | C28 H38 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCN(CC1)C(c1cccc(CSc2nc(C)cc(n2)N(C)C2CCCCC2)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9964 |
| logD: | 4.9961 |
| logSw: | -4.5724 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.938 |
| InChI Key: | ZYHWWSZNZUQESZ-UHFFFAOYSA-N |