N-(2,5-dimethylphenyl)-2-{[4-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,5-dimethylphenyl)-2-{[4-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2,5-dimethylphenyl)-2-{[4-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y203-0044 |
| Compound Name: | N-(2,5-dimethylphenyl)-2-{[4-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 318.44 |
| Molecular Formula: | C16 H22 N4 O S |
| Smiles: | CC(C)c1nnc(n1C)SCC(Nc1cc(C)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4164 |
| logD: | 2.4163 |
| logSw: | -2.7583 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.774 |
| InChI Key: | QBLWBBVPAXELDN-UHFFFAOYSA-N |