4-{1-[2-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate
Chemical Structure Depiction of
4-{1-[2-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate
4-{1-[2-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate
Compound characteristics
| Compound ID: | 3254-0584 |
| Compound Name: | 4-{1-[2-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate |
| Molecular Weight: | 545.62 |
| Molecular Formula: | C28 H27 N5 O5 S |
| Smiles: | C\C(c1ccc(cc1)OC(C)=O)=N/NC(CSc1nnc(c2ccc(c(c2)OC)OC)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9417 |
| logD: | 3.9414 |
| logSw: | -4.1479 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.386 |
| InChI Key: | YAGVMYQRVLSDLI-UHFFFAOYSA-N |