methyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanoate
Chemical Structure Depiction of
methyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanoate
methyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanoate
Compound characteristics
| Compound ID: | S322-0195 |
| Compound Name: | methyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)propanoate |
| Molecular Weight: | 562.67 |
| Molecular Formula: | C28 H26 N4 O5 S2 |
| Smiles: | CCOc1ccc(cc1)n1c(c2cn(c3ccccc23)S(c2ccccc2)(=O)=O)nnc1SC(C)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3266 |
| logD: | 5.3266 |
| logSw: | -5.416 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.274 |
| InChI Key: | ABSJAGUDZOLUJS-IBGZPJMESA-N |