2-{[5-(anilinomethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2,4-dimethoxyphenyl)methylidene]acetohydrazide
Chemical Structure Depiction of
2-{[5-(anilinomethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2,4-dimethoxyphenyl)methylidene]acetohydrazide
2-{[5-(anilinomethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2,4-dimethoxyphenyl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | Y508-3160 |
| Compound Name: | 2-{[5-(anilinomethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2,4-dimethoxyphenyl)methylidene]acetohydrazide |
| Molecular Weight: | 466.56 |
| Molecular Formula: | C23 H26 N6 O3 S |
| Smiles: | COc1ccc(/C=N/NC(CSc2nnc(CNc3ccccc3)n2CC=C)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.4532 |
| logD: | 3.4532 |
| logSw: | -3.8822 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.25 |
| InChI Key: | PABDLVFNECIQIJ-UHFFFAOYSA-N |