1-(azepan-1-yl)-2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
1-(azepan-1-yl)-2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | S322-0207 |
| Compound Name: | 1-(azepan-1-yl)-2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 631.77 |
| Molecular Formula: | C32 H33 N5 O5 S2 |
| Smiles: | COc1ccc(c(c1)n1c(c2cn(c3ccccc23)S(c2ccccc2)(=O)=O)nnc1SCC(N1CCCCCC1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.4716 |
| logD: | 5.4716 |
| logSw: | -5.4809 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.302 |
| InChI Key: | DXWMQYPFQMEHKX-UHFFFAOYSA-N |