N-(2,4-dimethylphenyl)-2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,4-dimethylphenyl)-2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2,4-dimethylphenyl)-2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8013-9137 |
| Compound Name: | N-(2,4-dimethylphenyl)-2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 472.61 |
| Molecular Formula: | C27 H28 N4 O2 S |
| Smiles: | Cc1ccc(c(C)c1)NC(CSc1nnc(COc2ccccc2)n1c1ccc(C)cc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7341 |
| logD: | 5.7341 |
| logSw: | -5.3656 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.338 |
| InChI Key: | BOSKJXKMEKDMBG-UHFFFAOYSA-N |