N-(2-{5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-3-methylbenzamide
Chemical Structure Depiction of
N-(2-{5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-3-methylbenzamide
N-(2-{5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-3-methylbenzamide
Compound characteristics
| Compound ID: | G717-2008 |
| Compound Name: | N-(2-{5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-3-methylbenzamide |
| Molecular Weight: | 354.84 |
| Molecular Formula: | C19 H19 Cl N4 O |
| Smiles: | Cc1cccc(c1)C(NCCc1nc(Cc2ccc(cc2)[Cl])[nH]n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6738 |
| logD: | 3.6724 |
| logSw: | -4.1754 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.259 |
| InChI Key: | OOSMNBMZOLFSCW-UHFFFAOYSA-N |