N-(2-{5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-2,5-dimethylbenzamide
Chemical Structure Depiction of
N-(2-{5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-2,5-dimethylbenzamide
N-(2-{5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-2,5-dimethylbenzamide
Compound characteristics
| Compound ID: | G717-5559 |
| Compound Name: | N-(2-{5-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-2,5-dimethylbenzamide |
| Molecular Weight: | 368.86 |
| Molecular Formula: | C20 H21 Cl N4 O |
| Smiles: | Cc1ccc(C)c(c1)C(NCCc1nc(Cc2cccc(c2)[Cl])[nH]n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.565 |
| logD: | 4.5636 |
| logSw: | -4.56 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.259 |
| InChI Key: | ITDYFUQUYNXFFQ-UHFFFAOYSA-N |