methyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate
Chemical Structure Depiction of
methyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate
methyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate
Compound characteristics
| Compound ID: | S322-0206 |
| Compound Name: | methyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate |
| Molecular Weight: | 550.63 |
| Molecular Formula: | C27 H23 F N4 O4 S2 |
| Smiles: | CCC(C(=O)OC)Sc1nnc(c2cn(c3ccccc23)S(c2ccccc2)(=O)=O)n1c1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5038 |
| logD: | 5.5038 |
| logSw: | -5.5855 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.151 |
| InChI Key: | LPPBYCQMPOTSBV-DEOSSOPVSA-N |