N-(5-chloro-2-methylphenyl)-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
N-(5-chloro-2-methylphenyl)-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0179 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 345.74 |
| Molecular Formula: | C15 H12 Cl N5 O3 |
| Smiles: | Cc1ccc(cc1Nc1c(nn(c2ccccc2)[n+]1[O-])[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.6486 |
| logD: | 3.6486 |
| logSw: | -3.8895 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.386 |
| InChI Key: | QHGMGYJBJIXODP-UHFFFAOYSA-N |