N-tert-butyl-4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazine-1-carboxamide
Chemical Structure Depiction of
N-tert-butyl-4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazine-1-carboxamide
N-tert-butyl-4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V030-3418 |
| Compound Name: | N-tert-butyl-4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazine-1-carboxamide |
| Molecular Weight: | 426.52 |
| Molecular Formula: | C22 H30 N6 O3 |
| Salt: | not_available |
| Smiles: | Cc1c(Cc2ccc(cc2)[N+]([O-])=O)c(nc(C)n1)N1CCN(CC1)C(NC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.046 |
| logD: | 3.957 |
| logSw: | -4.1864 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.189 |
| InChI Key: | WSIKRGJRUJBORQ-UHFFFAOYSA-N |