N-(2H-1,3-benzodioxol-5-yl)-2-({1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-({1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-({1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | E587-0523 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-({1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C25 H27 N3 O4 S |
| Smiles: | CC1CCN(CC1)C(Cn1cc(c2ccccc12)SCC(Nc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6974 |
| logD: | 3.6974 |
| logSw: | -3.863 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.356 |
| InChI Key: | PBIVBHCGYGHCFD-UHFFFAOYSA-N |