2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-cyclopentylacetamide
Chemical Structure Depiction of
2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-cyclopentylacetamide
2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-cyclopentylacetamide
Compound characteristics
| Compound ID: | S322-0333 |
| Compound Name: | 2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-cyclopentylacetamide |
| Molecular Weight: | 617.75 |
| Molecular Formula: | C31 H31 N5 O5 S2 |
| Smiles: | COc1ccc(c(c1)n1c(c2cn(c3ccccc23)S(c2ccccc2)(=O)=O)nnc1SCC(NC1CCCC1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.1535 |
| logD: | 5.1534 |
| logSw: | -5.0403 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.142 |
| InChI Key: | XBBDSANNBLZRLN-UHFFFAOYSA-N |