N-(3-chloro-2-methylphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
N-(3-chloro-2-methylphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
Compound characteristics
| Compound ID: | C301-4134 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide |
| Molecular Weight: | 312.76 |
| Molecular Formula: | C16 H13 Cl N4 O |
| Smiles: | Cc1c(cccc1[Cl])NC(c1ncn(c2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7027 |
| logD: | 3.7018 |
| logSw: | -3.9052 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.571 |
| InChI Key: | JLPDFIAFQTVMJB-UHFFFAOYSA-N |