ethyl 1-{4-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{4-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate
ethyl 1-{4-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V026-4542 |
| Compound Name: | ethyl 1-{4-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate |
| Molecular Weight: | 577.72 |
| Molecular Formula: | C31 H36 F N5 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCCN(C1)C(c1ccc(CSc2nc(C)cc(n2)N2CCN(CC2)c2ccccc2F)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2124 |
| logD: | 5.2121 |
| logSw: | -5.0212 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.277 |
| InChI Key: | CCVBGCMFLZVAKP-VWLOTQADSA-N |