2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(2-chlorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(2-chlorophenyl)methyl]acetamide
2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(2-chlorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | S322-0248 |
| Compound Name: | 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(2-chlorophenyl)methyl]acetamide |
| Molecular Weight: | 632.14 |
| Molecular Formula: | C31 H23 Cl F N5 O3 S2 |
| Smiles: | C(c1ccccc1[Cl])NC(CSc1nnc(c2cn(c3ccccc23)S(c2ccccc2)(=O)=O)n1c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.115 |
| logD: | 6.115 |
| logSw: | -6.1097 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.177 |
| InChI Key: | CVNRHRAEFTUPPK-UHFFFAOYSA-N |