N-(2,3-dimethylphenyl)-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dimethylphenyl)-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2,3-dimethylphenyl)-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8013-7909 |
| Compound Name: | N-(2,3-dimethylphenyl)-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C26 H26 N4 O2 S |
| Smiles: | Cc1ccc(cc1)n1c(COc2ccccc2)nnc1SCC(Nc1cccc(C)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2311 |
| logD: | 5.2311 |
| logSw: | -4.9819 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.639 |
| InChI Key: | MZBPAFFTNMRGFH-UHFFFAOYSA-N |