ethyl 1-{3-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{3-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate
ethyl 1-{3-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V002-2735 |
| Compound Name: | ethyl 1-{3-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate |
| Molecular Weight: | 594.18 |
| Molecular Formula: | C31 H36 Cl N5 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCCN(C1)C(c1cccc(CSc2nc(C)cc(n2)N2CCN(CC2)c2ccccc2[Cl])c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9163 |
| logD: | 5.916 |
| logSw: | -5.9567 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.277 |
| InChI Key: | NFJWZOWHZLDAHU-VWLOTQADSA-N |