2-{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Chemical Structure Depiction of
2-{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
2-{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | Y508-9359 |
| Compound Name: | 2-{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide |
| Molecular Weight: | 497.57 |
| Molecular Formula: | C24 H27 N5 O5 S |
| Smiles: | COc1cc(/C=N/NC(CSc2nnc(COc3ccccc3)n2CC=C)=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.1314 |
| logD: | 3.1313 |
| logSw: | -3.3474 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.046 |
| InChI Key: | USQNNEIHBWGUEH-UHFFFAOYSA-N |