2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Chemical Structure Depiction of
2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Compound characteristics
| Compound ID: | G878-0176 |
| Compound Name: | 2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C26 H22 N4 O2 S |
| Smiles: | CCOc1ccc(cc1)n1c(c2c[nH]c3ccccc23)nnc1SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.309 |
| logD: | 5.309 |
| logSw: | -5.5358 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.954 |
| InChI Key: | PICBCCLHOHEXJM-UHFFFAOYSA-N |