2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethylphenyl)acetamide
Chemical Structure Depiction of
2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethylphenyl)acetamide
2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | S322-0227 |
| Compound Name: | 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethylphenyl)acetamide |
| Molecular Weight: | 637.78 |
| Molecular Formula: | C34 H31 N5 O4 S2 |
| Smiles: | CCc1ccc(cc1)NC(CSc1nnc(c2cn(c3ccccc23)S(c2ccccc2)(=O)=O)n1c1ccc(cc1)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9222 |
| logD: | 6.9222 |
| logSw: | -5.8117 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.978 |
| InChI Key: | XETJZRAZKXCYMT-UHFFFAOYSA-N |