2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide
Chemical Structure Depiction of
2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide
2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | S322-0289 |
| Compound Name: | 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide |
| Molecular Weight: | 613.69 |
| Molecular Formula: | C31 H24 F N5 O4 S2 |
| Smiles: | COc1ccc(cc1)n1c(c2cn(c3ccccc23)S(c2ccccc2)(=O)=O)nnc1SCC(Nc1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7584 |
| logD: | 5.7583 |
| logSw: | -5.6111 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.398 |
| InChI Key: | KMDFAQDEPCKNLL-UHFFFAOYSA-N |