ethyl 1-{4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate
ethyl 1-{4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V026-2434 |
| Compound Name: | ethyl 1-{4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate |
| Molecular Weight: | 624.2 |
| Molecular Formula: | C32 H38 Cl N5 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCCN(C1)C(c1ccc(CSc2nc(COC)cc(n2)N2CCN(CC2)c2ccccc2[Cl])cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4864 |
| logD: | 5.4862 |
| logSw: | -5.9015 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.39 |
| InChI Key: | LXTRZRHNTPJTLY-VWLOTQADSA-N |