4-{5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-(propan-2-yl)pyrimidin-4-yl}-N-ethylpiperazine-1-carboxamide
Chemical Structure Depiction of
4-{5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-(propan-2-yl)pyrimidin-4-yl}-N-ethylpiperazine-1-carboxamide
4-{5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-(propan-2-yl)pyrimidin-4-yl}-N-ethylpiperazine-1-carboxamide
Compound characteristics
| Compound ID: | V004-9646 |
| Compound Name: | 4-{5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-(propan-2-yl)pyrimidin-4-yl}-N-ethylpiperazine-1-carboxamide |
| Molecular Weight: | 447.98 |
| Molecular Formula: | C23 H31 Cl F N5 O |
| Smiles: | CCc1c(Cc2c(cccc2[Cl])F)c(nc(C(C)C)n1)N1CCN(CC1)C(NCC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2725 |
| logD: | 5.216 |
| logSw: | -5.8126 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.686 |
| InChI Key: | PPKDCPOSCXPHDN-UHFFFAOYSA-N |