N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0760 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 380.19 |
| Molecular Formula: | C15 H11 Cl2 N5 O3 |
| Smiles: | Cc1ccc(cc1Nc1c(nn(c2ccc(cc2)[Cl])[n+]1[O-])[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3649 |
| logD: | 4.3649 |
| logSw: | -4.5416 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.386 |
| InChI Key: | XINGPGUROJXKLL-UHFFFAOYSA-N |