N-(2,3-dimethylphenyl)-2-{[4-ethyl-5-(2-hydroxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dimethylphenyl)-2-{[4-ethyl-5-(2-hydroxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2,3-dimethylphenyl)-2-{[4-ethyl-5-(2-hydroxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | Y203-0228 |
Compound Name: | N-(2,3-dimethylphenyl)-2-{[4-ethyl-5-(2-hydroxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
Molecular Weight: | 348.47 |
Molecular Formula: | C17 H24 N4 O2 S |
Smiles: | CCn1c(C(C)(C)O)nnc1SCC(Nc1cccc(C)c1C)=O |
Stereo: | ACHIRAL |
logP: | 2.7719 |
logD: | 2.7719 |
logSw: | -2.7918 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 62.409 |
InChI Key: | QHAVXKOIVDIWMW-UHFFFAOYSA-N |