2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-(2H-1,3-benzodioxol-5-yl)acetamide
Chemical Structure Depiction of
2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-(2H-1,3-benzodioxol-5-yl)acetamide
2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-(2H-1,3-benzodioxol-5-yl)acetamide
Compound characteristics
| Compound ID: | E587-0426 |
| Compound Name: | 2-({1-[2-(azepan-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)-N-(2H-1,3-benzodioxol-5-yl)acetamide |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C25 H27 N3 O4 S |
| Smiles: | C1CCCN(CC1)C(Cn1cc(c2ccccc12)SCC(Nc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.863 |
| logD: | 3.8629 |
| logSw: | -3.8826 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.687 |
| InChI Key: | JAHYRLAHHWDSOK-UHFFFAOYSA-N |