4-{2-cyclopropyl-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}-N-(propan-2-yl)piperazine-1-carboxamide
Chemical Structure Depiction of
4-{2-cyclopropyl-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}-N-(propan-2-yl)piperazine-1-carboxamide
4-{2-cyclopropyl-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}-N-(propan-2-yl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V027-8611 |
| Compound Name: | 4-{2-cyclopropyl-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}-N-(propan-2-yl)piperazine-1-carboxamide |
| Molecular Weight: | 438.53 |
| Molecular Formula: | C23 H30 N6 O3 |
| Salt: | not_available |
| Smiles: | CC(C)NC(N1CCN(CC1)c1c(Cc2ccc(cc2)[N+]([O-])=O)c(C)nc(C2CC2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5094 |
| logD: | 3.5157 |
| logSw: | -4.3156 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.978 |
| InChI Key: | COTIBJKURANHKL-UHFFFAOYSA-N |