ethyl 1-{3-[({4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{3-[({4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate
ethyl 1-{3-[({4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V014-0299 |
| Compound Name: | ethyl 1-{3-[({4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-3-carboxylate |
| Molecular Weight: | 591.75 |
| Molecular Formula: | C32 H38 F N5 O3 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1cccc(c1)C(N1CCCC(C1)C(=O)OCC)=O)N1CCN(CC1)c1ccccc1F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0179 |
| logD: | 6.0175 |
| logSw: | -5.3965 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.966 |
| InChI Key: | PTPOVXXADMPOPW-VWLOTQADSA-N |