N-(2,5-dimethylphenyl)-2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,5-dimethylphenyl)-2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2,5-dimethylphenyl)-2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8014-0117 |
| Compound Name: | N-(2,5-dimethylphenyl)-2-{[4-(4-methoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C26 H26 N4 O3 S |
| Smiles: | Cc1ccc(C)c(c1)NC(CSc1nnc(COc2ccccc2)n1c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2008 |
| logD: | 4.2008 |
| logSw: | -4.1938 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.183 |
| InChI Key: | YXVZDSJTFHSXOL-UHFFFAOYSA-N |