ethyl 1-{4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-phenylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-phenylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate
ethyl 1-{4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-phenylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V027-0036 |
| Compound Name: | ethyl 1-{4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-phenylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate |
| Molecular Weight: | 656.25 |
| Molecular Formula: | C36 H38 Cl N5 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCN(CC1)C(c1ccc(CSc2nc(cc(n2)N2CCN(CC2)c2ccccc2[Cl])c2ccccc2)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.4174 |
| logD: | 7.4171 |
| logSw: | -6.3158 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.266 |
| InChI Key: | RSIJMWKFGCESOB-UHFFFAOYSA-N |