methyl 4-{[2-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[2-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
methyl 4-{[2-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
Compound characteristics
| Compound ID: | 2357-3583 |
| Compound Name: | methyl 4-{[2-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate |
| Molecular Weight: | 531.59 |
| Molecular Formula: | C27 H25 N5 O5 S |
| Smiles: | COC(c1ccc(/C=N/NC(CSc2nnc(c3ccc(c(c3)OC)OC)n2c2ccccc2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2032 |
| logD: | 4.203 |
| logSw: | -4.3292 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.521 |
| InChI Key: | ZBBZNSFPPZICEU-UHFFFAOYSA-N |