4-{[2-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2,6-dimethoxyphenyl acetate
Chemical Structure Depiction of
4-{[2-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2,6-dimethoxyphenyl acetate
4-{[2-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2,6-dimethoxyphenyl acetate
Compound characteristics
| Compound ID: | 2357-3595 |
| Compound Name: | 4-{[2-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2,6-dimethoxyphenyl acetate |
| Molecular Weight: | 591.64 |
| Molecular Formula: | C29 H29 N5 O7 S |
| Smiles: | CC(=O)Oc1c(cc(/C=N/NC(CSc2nnc(c3ccc(c(c3)OC)OC)n2c2ccccc2)=O)cc1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6933 |
| logD: | 3.6933 |
| logSw: | -4.0815 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.533 |
| InChI Key: | WAQLKXRLNVACHH-UHFFFAOYSA-N |