1-(benzenesulfonyl)-3-{5-[(butan-2-yl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}-1H-indole
Chemical Structure Depiction of
1-(benzenesulfonyl)-3-{5-[(butan-2-yl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}-1H-indole
1-(benzenesulfonyl)-3-{5-[(butan-2-yl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}-1H-indole
Compound characteristics
| Compound ID: | S322-0180 |
| Compound Name: | 1-(benzenesulfonyl)-3-{5-[(butan-2-yl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}-1H-indole |
| Molecular Weight: | 518.66 |
| Molecular Formula: | C27 H26 N4 O3 S2 |
| Smiles: | CCC(C)Sc1nnc(c2cn(c3ccccc23)S(c2ccccc2)(=O)=O)n1c1ccc(cc1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9624 |
| logD: | 5.9624 |
| logSw: | -5.8172 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.521 |
| InChI Key: | YEFDPJSXBPZBOD-IBGZPJMESA-N |