4-{[2-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2-methoxyphenyl 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-methoxyphenyl acetate
4-{[2-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 3254-0553 |
| Compound Name: | 4-{[2-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2-methoxyphenyl acetate |
| Molecular Weight: | 561.62 |
| Molecular Formula: | C28 H27 N5 O6 S |
| Smiles: | CC(=O)Oc1ccc(/C=N/NC(CSc2nnc(c3ccc(c(c3)OC)OC)n2c2ccccc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.7915 |
| logD: | 3.7914 |
| logSw: | -4.1074 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.815 |
| InChI Key: | GDJKRWUBDUCAHJ-UHFFFAOYSA-N |