N-(3-chlorophenyl)-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-(3-chlorophenyl)-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0228 |
| Compound Name: | N-(3-chlorophenyl)-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 345.74 |
| Molecular Formula: | C15 H12 Cl N5 O3 |
| Smiles: | Cc1cccc(c1)n1nc(c(Nc2cccc(c2)[Cl])[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2174 |
| logD: | 4.2174 |
| logSw: | -4.4553 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.084 |
| InChI Key: | IAQRWCDNKQROSH-UHFFFAOYSA-N |