2-{[4-benzyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethylacetamide
Chemical Structure Depiction of
2-{[4-benzyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethylacetamide
2-{[4-benzyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethylacetamide
Compound characteristics
Compound ID: | 8013-9015 |
Compound Name: | 2-{[4-benzyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethylacetamide |
Molecular Weight: | 368.46 |
Molecular Formula: | C19 H20 N4 O2 S |
Smiles: | CN(C)C(CSc1nnc(c2ccccc2O)n1Cc1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 3.0846 |
logD: | 3.0771 |
logSw: | -3.2039 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.262 |
InChI Key: | YVRNYSNTPKWKQF-UHFFFAOYSA-N |