N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | P257-1102 |
| Compound Name: | N-[(2-chloro-4-fluorophenyl)methyl]-1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide |
| Molecular Weight: | 446.95 |
| Molecular Formula: | C22 H28 Cl F N6 O |
| Smiles: | CN1CCN(CC1)c1c(cncn1)N1CCC(CC1)C(NCc1ccc(cc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.704 |
| logD: | 2.2273 |
| logSw: | -3.3303 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.945 |
| InChI Key: | SGWQONFKMILFAS-UHFFFAOYSA-N |