benzyl ({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
benzyl ({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
benzyl ({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | S322-0278 |
| Compound Name: | benzyl ({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 610.71 |
| Molecular Formula: | C32 H26 N4 O5 S2 |
| Smiles: | COc1ccc(cc1)n1c(c2cn(c3ccccc23)S(c2ccccc2)(=O)=O)nnc1SCC(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.0856 |
| logD: | 6.0856 |
| logSw: | -5.6566 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.783 |
| InChI Key: | DBWQTRHFQGVAQP-UHFFFAOYSA-N |