ethyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate
Chemical Structure Depiction of
ethyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate
ethyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate
Compound characteristics
| Compound ID: | S322-0121 |
| Compound Name: | ethyl 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate |
| Molecular Weight: | 528.65 |
| Molecular Formula: | C25 H28 N4 O5 S2 |
| Smiles: | CCC(C(=O)OCC)Sc1nnc(c2cn(c3ccccc23)S(c2ccccc2)(=O)=O)n1CCOC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5124 |
| logD: | 4.5124 |
| logSw: | -4.0974 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.58 |
| InChI Key: | BSAUJELWRYSIEC-QFIPXVFZSA-N |