2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3-ethoxy-2-hydroxyphenyl)methylidene]acetohydrazide
Chemical Structure Depiction of
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3-ethoxy-2-hydroxyphenyl)methylidene]acetohydrazide
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3-ethoxy-2-hydroxyphenyl)methylidene]acetohydrazide
Compound characteristics
Compound ID: | 2357-3563 |
Compound Name: | 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3-ethoxy-2-hydroxyphenyl)methylidene]acetohydrazide |
Molecular Weight: | 533.61 |
Molecular Formula: | C27 H27 N5 O5 S |
Smiles: | CCOc1cccc(/C=N/NC(CSc2nnc(c3ccc(c(c3)OC)OC)n2c2ccccc2)=O)c1O |
Stereo: | ACHIRAL |
logP: | 4.5672 |
logD: | 4.5657 |
logSw: | -4.2985 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 98.037 |
InChI Key: | XQYZUYVAYDYUPJ-UHFFFAOYSA-N |