N-tert-butyl-4-{5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-(propan-2-yl)pyrimidin-4-yl}piperazine-1-carboxamide
Chemical Structure Depiction of
N-tert-butyl-4-{5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-(propan-2-yl)pyrimidin-4-yl}piperazine-1-carboxamide
N-tert-butyl-4-{5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-(propan-2-yl)pyrimidin-4-yl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V004-9634 |
| Compound Name: | N-tert-butyl-4-{5-[(2-chloro-6-fluorophenyl)methyl]-6-ethyl-2-(propan-2-yl)pyrimidin-4-yl}piperazine-1-carboxamide |
| Molecular Weight: | 476.04 |
| Molecular Formula: | C25 H35 Cl F N5 O |
| Salt: | not_available |
| Smiles: | CCc1c(Cc2c(cccc2[Cl])F)c(nc(C(C)C)n1)N1CCN(CC1)C(NC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3123 |
| logD: | 6.2558 |
| logSw: | -6.1922 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.884 |
| InChI Key: | IGHWTVLZWLDRGA-UHFFFAOYSA-N |