2-methoxy-4-{[2-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenyl acetate
Chemical Structure Depiction of
2-methoxy-4-{[2-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenyl acetate
2-methoxy-4-{[2-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenyl acetate
Compound characteristics
| Compound ID: | 3254-1296 |
| Compound Name: | 2-methoxy-4-{[2-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenyl acetate |
| Molecular Weight: | 531.59 |
| Molecular Formula: | C27 H25 N5 O5 S |
| Smiles: | CC(=O)Oc1ccc(/C=N/NC(CSc2nnc(c3ccc(cc3)OC)n2c2ccccc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.1514 |
| logD: | 4.1513 |
| logSw: | -4.4367 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.098 |
| InChI Key: | XWCHSOPPOPVLJB-UHFFFAOYSA-N |