2-(3-methylphenyl)-5-nitro-3-oxo-N-[4-(propan-2-yl)phenyl]-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
2-(3-methylphenyl)-5-nitro-3-oxo-N-[4-(propan-2-yl)phenyl]-2H-1lambda~5~,2,3-triazol-4-amine
2-(3-methylphenyl)-5-nitro-3-oxo-N-[4-(propan-2-yl)phenyl]-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0155 |
| Compound Name: | 2-(3-methylphenyl)-5-nitro-3-oxo-N-[4-(propan-2-yl)phenyl]-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 353.38 |
| Molecular Formula: | C18 H19 N5 O3 |
| Smiles: | CC(C)c1ccc(cc1)Nc1c(nn(c2cccc(C)c2)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.802 |
| logD: | 4.802 |
| logSw: | -4.5921 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.084 |
| InChI Key: | IAWRSUHYJQHAOH-UHFFFAOYSA-N |