2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{[4-(propan-2-yl)phenyl]methylidene}acetohydrazide
Chemical Structure Depiction of
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{[4-(propan-2-yl)phenyl]methylidene}acetohydrazide
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{[4-(propan-2-yl)phenyl]methylidene}acetohydrazide
Compound characteristics
| Compound ID: | 2357-3628 |
| Compound Name: | 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{[4-(propan-2-yl)phenyl]methylidene}acetohydrazide |
| Molecular Weight: | 515.63 |
| Molecular Formula: | C28 H29 N5 O3 S |
| Smiles: | CC(C)c1ccc(/C=N/NC(CSc2nnc(c3ccc(c(c3)OC)OC)n2c2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4507 |
| logD: | 5.4505 |
| logSw: | -5.4755 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.347 |
| InChI Key: | ITQBIXJISVTGSU-UHFFFAOYSA-N |