2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one
2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | G878-0178 |
| Compound Name: | 2-{[4-(4-ethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 484.58 |
| Molecular Formula: | C27 H24 N4 O3 S |
| Smiles: | CCOc1ccc(cc1)n1c(c2c[nH]c3ccccc23)nnc1SCC(c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3965 |
| logD: | 5.3965 |
| logSw: | -5.6465 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.498 |
| InChI Key: | KHFJFYQBBVGPEA-UHFFFAOYSA-N |