2-(2-methylphenyl)-N-[(4-methylphenyl)methyl]-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Chemical Structure Depiction of
2-(2-methylphenyl)-N-[(4-methylphenyl)methyl]-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
2-(2-methylphenyl)-N-[(4-methylphenyl)methyl]-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Compound characteristics
| Compound ID: | C360-0078 |
| Compound Name: | 2-(2-methylphenyl)-N-[(4-methylphenyl)methyl]-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine |
| Molecular Weight: | 339.35 |
| Molecular Formula: | C17 H17 N5 O3 |
| Smiles: | Cc1ccc(CNc2c(nn(c3ccccc3C)[n+]2[O-])[N+]([O-])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3483 |
| logD: | 3.3483 |
| logSw: | -3.5817 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.105 |
| InChI Key: | IANXILDRCHXJED-UHFFFAOYSA-N |