N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C437-0254 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 375.77 |
| Molecular Formula: | C16 H14 Cl N5 O4 |
| Smiles: | Cc1c(cccc1[Cl])Nc1c(nn(c2ccc(cc2)OC)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1027 |
| logD: | 4.1027 |
| logSw: | -4.3469 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.929 |
| InChI Key: | WIBOCAZKRMZXAI-UHFFFAOYSA-N |