2-{[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-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-(4-methylpiperidin-1-yl)ethan-1-one
2-{[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C592-2593 |
| Compound Name: | 2-{[4-(2,5-dimethoxyphenyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C26 H29 N5 O3 S |
| Smiles: | CC1CCN(CC1)C(CSc1nnc(c2c[nH]c3ccccc23)n1c1cc(ccc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6014 |
| logD: | 4.6014 |
| logSw: | -4.2088 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.849 |
| InChI Key: | DUGJPNJVIGDNPM-UHFFFAOYSA-N |