2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methylpiperidin-1-yl)ethan-1-one
2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | S322-0331 |
| Compound Name: | 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 631.77 |
| Molecular Formula: | C32 H33 N5 O5 S2 |
| Smiles: | CC1CCN(CC1)C(CSc1nnc(c2cn(c3ccccc23)S(c2ccccc2)(=O)=O)n1c1cc(ccc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3061 |
| logD: | 5.3061 |
| logSw: | -5.5202 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.971 |
| InChI Key: | BUTZUYODENSVME-UHFFFAOYSA-N |