N-(2-chloro-4-methylphenyl)-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
N-(2-chloro-4-methylphenyl)-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C359-0045 |
| Compound Name: | N-(2-chloro-4-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(c(c1)[Cl])Nc1c(nn(c2ccccc2)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9153 |
| logD: | 3.9153 |
| logSw: | -4.1583 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.386 |
| InChI Key: | ILCJOOHNDDIRMO-UHFFFAOYSA-N |