2-{[5-(anilinomethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(pyridin-3-yl)methylidene]acetohydrazide
Chemical Structure Depiction of
2-{[5-(anilinomethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(pyridin-3-yl)methylidene]acetohydrazide
2-{[5-(anilinomethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(pyridin-3-yl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | Y508-3161 |
| Compound Name: | 2-{[5-(anilinomethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(pyridin-3-yl)methylidene]acetohydrazide |
| Molecular Weight: | 407.5 |
| Molecular Formula: | C20 H21 N7 O S |
| Smiles: | C=CCn1c(CNc2ccccc2)nnc1SCC(N/N=C/c1cccnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1543 |
| logD: | 2.1538 |
| logSw: | -2.0352 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.593 |
| InChI Key: | ATJFKFNCARVIQD-UHFFFAOYSA-N |