2-{[5-(anilinomethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2,4-dihydroxyphenyl)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-dihydroxyphenyl)methylidene]acetohydrazide
2-{[5-(anilinomethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2,4-dihydroxyphenyl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | Y508-6903 |
| Compound Name: | 2-{[5-(anilinomethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2,4-dihydroxyphenyl)methylidene]acetohydrazide |
| Molecular Weight: | 438.51 |
| Molecular Formula: | C21 H22 N6 O3 S |
| Smiles: | C=CCn1c(CNc2ccccc2)nnc1SCC(N/N=C/c1ccc(cc1O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6779 |
| logD: | 2.6754 |
| logSw: | -3.0053 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 105.241 |
| InChI Key: | BWYOVQFSHQJYFQ-UHFFFAOYSA-N |