3-{4-(2,5-dimethoxyphenyl)-5-[(prop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1H-indole
Chemical Structure Depiction of
3-{4-(2,5-dimethoxyphenyl)-5-[(prop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1H-indole
3-{4-(2,5-dimethoxyphenyl)-5-[(prop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1H-indole
Compound characteristics
| Compound ID: | G878-0134 |
| Compound Name: | 3-{4-(2,5-dimethoxyphenyl)-5-[(prop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1H-indole |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Smiles: | COc1ccc(c(c1)n1c(c2c[nH]c3ccccc23)nnc1SCC=C)OC |
| Stereo: | ACHIRAL |
| logP: | 4.7856 |
| logD: | 4.7855 |
| logSw: | -4.7362 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.728 |
| InChI Key: | QNHVHSAXWRDRCV-UHFFFAOYSA-N |