N-benzyl-1-(3-chlorophenyl)-N-methyl-5-phenyl-1H-1,2,4-triazole-3-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-benzyl-1-(3-chlorophenyl)-N-methyl-5-phenyl-1H-1,2,4-triazole-3-carboxamide--hydrogen chloride (1/1)
N-benzyl-1-(3-chlorophenyl)-N-methyl-5-phenyl-1H-1,2,4-triazole-3-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D351-2201 |
| Compound Name: | N-benzyl-1-(3-chlorophenyl)-N-methyl-5-phenyl-1H-1,2,4-triazole-3-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 439.34 |
| Molecular Formula: | C23 H19 Cl N4 O |
| Salt: | HCl |
| Smiles: | CN(Cc1ccccc1)C(c1nc(c2ccccc2)n(c2cccc(c2)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3698 |
| logD: | 5.3698 |
| logSw: | -5.8935 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.04 |
| InChI Key: | MKJRRZIMPYOWQC-UHFFFAOYSA-N |