N-benzyl-1-(4-chlorophenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxamide
Chemical Structure Depiction of
N-benzyl-1-(4-chlorophenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxamide
N-benzyl-1-(4-chlorophenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxamide
Compound characteristics
| Compound ID: | D351-2158 |
| Compound Name: | N-benzyl-1-(4-chlorophenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxamide |
| Molecular Weight: | 388.85 |
| Molecular Formula: | C22 H17 Cl N4 O |
| Smiles: | C(c1ccccc1)NC(c1nc(c2ccccc2)n(c2ccc(cc2)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0054 |
| logD: | 5.0054 |
| logSw: | -5.3365 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.303 |
| InChI Key: | OWNHULNAKNQKMX-UHFFFAOYSA-N |