1-(benzenesulfonyl)-3-{4-(2,5-dimethoxyphenyl)-5-[(3-methylbutyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1H-indole
Chemical Structure Depiction of
1-(benzenesulfonyl)-3-{4-(2,5-dimethoxyphenyl)-5-[(3-methylbutyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1H-indole
1-(benzenesulfonyl)-3-{4-(2,5-dimethoxyphenyl)-5-[(3-methylbutyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1H-indole
Compound characteristics
| Compound ID: | S322-0188 |
| Compound Name: | 1-(benzenesulfonyl)-3-{4-(2,5-dimethoxyphenyl)-5-[(3-methylbutyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1H-indole |
| Molecular Weight: | 562.71 |
| Molecular Formula: | C29 H30 N4 O4 S2 |
| Smiles: | CC(C)CCSc1nnc(c2cn(c3ccccc23)S(c2ccccc2)(=O)=O)n1c1cc(ccc1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 6.3037 |
| logD: | 6.3037 |
| logSw: | -5.8008 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.85 |
| InChI Key: | GGKQEMQIPHXJMH-UHFFFAOYSA-N |