4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-(propan-2-yl)pyrimidin-4-yl}-N-(propan-2-yl)piperazine-1-carboxamide
Chemical Structure Depiction of
4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-(propan-2-yl)pyrimidin-4-yl}-N-(propan-2-yl)piperazine-1-carboxamide
4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-(propan-2-yl)pyrimidin-4-yl}-N-(propan-2-yl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V005-4432 |
| Compound Name: | 4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-(propan-2-yl)pyrimidin-4-yl}-N-(propan-2-yl)piperazine-1-carboxamide |
| Molecular Weight: | 440.54 |
| Molecular Formula: | C23 H32 N6 O3 |
| Salt: | not_available |
| Smiles: | CC(C)c1nc(C)c(Cc2ccc(cc2)[N+]([O-])=O)c(n1)N1CCN(CC1)C(NC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6076 |
| logD: | 4.4731 |
| logSw: | -4.3613 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.727 |
| InChI Key: | BTASYUTZRBYXEX-UHFFFAOYSA-N |