benzyl {[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
benzyl {[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
benzyl {[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | G878-0175 |
| Compound Name: | benzyl {[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 484.58 |
| Molecular Formula: | C27 H24 N4 O3 S |
| Smiles: | CCOc1ccc(cc1)n1c(c2c[nH]c3ccccc23)nnc1SCC(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7675 |
| logD: | 5.7675 |
| logSw: | -5.7467 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.241 |
| InChI Key: | MJLBZKYGUKOCQY-UHFFFAOYSA-N |