2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)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-(2-methylphenyl)acetamide
2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide
Compound characteristics
Compound ID: | S322-0335 |
Compound Name: | 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide |
Molecular Weight: | 623.75 |
Molecular Formula: | C33 H29 N5 O4 S2 |
Smiles: | CCOc1ccc(cc1)n1c(c2cn(c3ccccc23)S(c2ccccc2)(=O)=O)nnc1SCC(Nc1ccccc1C)=O |
Stereo: | ACHIRAL |
logP: | 5.7864 |
logD: | 5.7864 |
logSw: | -5.5548 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 83.281 |
InChI Key: | XMTCXDKVPNUNOW-UHFFFAOYSA-N |