1-benzyl-N-[2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]piperidin-4-amine
Chemical Structure Depiction of
1-benzyl-N-[2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]piperidin-4-amine
1-benzyl-N-[2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]piperidin-4-amine
Compound characteristics
| Compound ID: | C301-0196 |
| Compound Name: | 1-benzyl-N-[2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]piperidin-4-amine |
| Molecular Weight: | 408.46 |
| Molecular Formula: | C21 H24 N6 O3 |
| Smiles: | Cc1cccc(c1)n1nc(c(NC2CCN(CC2)Cc2ccccc2)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4404 |
| logD: | 2.6677 |
| logSw: | -3.6202 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.671 |
| InChI Key: | YWIAIAUFWCOZIR-UHFFFAOYSA-N |