N-(3-chloro-4-methylphenyl)-5-(4-phenoxyanilino)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-5-(4-phenoxyanilino)-1H-1,2,3-triazole-4-carboxamide
N-(3-chloro-4-methylphenyl)-5-(4-phenoxyanilino)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | F414-0996 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-5-(4-phenoxyanilino)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 419.87 |
| Molecular Formula: | C22 H18 Cl N5 O2 |
| Smiles: | Cc1ccc(cc1[Cl])NC(c1c(Nc2ccc(cc2)Oc2ccccc2)[nH]nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7839 |
| logD: | 5.718 |
| logSw: | -5.9998 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.303 |
| InChI Key: | QQSWWRDFHCCQLT-UHFFFAOYSA-N |