2-{[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Chemical Structure Depiction of
2-{[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
2-{[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Compound characteristics
| Compound ID: | G878-0142 |
| Compound Name: | 2-{[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one |
| Molecular Weight: | 470.55 |
| Molecular Formula: | C26 H22 N4 O3 S |
| Smiles: | COc1ccc(c(c1)n1c(c2c[nH]c3ccccc23)nnc1SCC(c1ccccc1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.0303 |
| logD: | 5.0303 |
| logSw: | -4.8771 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.703 |
| InChI Key: | OBRMFZJFPRJJFR-UHFFFAOYSA-N |