4-{6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}-N-(propan-2-yl)piperazine-1-carboxamide
Chemical Structure Depiction of
4-{6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}-N-(propan-2-yl)piperazine-1-carboxamide
4-{6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}-N-(propan-2-yl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V027-7735 |
| Compound Name: | 4-{6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}-N-(propan-2-yl)piperazine-1-carboxamide |
| Molecular Weight: | 468.6 |
| Molecular Formula: | C25 H36 N6 O3 |
| Salt: | not_available |
| Smiles: | CCc1c(Cc2ccc(cc2)[N+]([O-])=O)c(nc(CC(C)C)n1)N1CCN(CC1)C(NC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.591 |
| logD: | 5.3846 |
| logSw: | -5.3399 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.406 |
| InChI Key: | MILUKUQZUHFCME-UHFFFAOYSA-N |