ethyl 1-{4-[({4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{4-[({4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate
ethyl 1-{4-[({4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V002-4748 |
| Compound Name: | ethyl 1-{4-[({4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate |
| Molecular Weight: | 591.75 |
| Molecular Formula: | C32 H38 F N5 O3 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1ccc(cc1)C(N1CCC(CC1)C(=O)OCC)=O)N1CCN(CC1)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 5.774 |
| logD: | 5.7736 |
| logSw: | -5.4653 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.033 |
| InChI Key: | WQYWGLPYUKNCMP-UHFFFAOYSA-N |