2-{3-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-1H-indol-1-yl}-N,N-diethylacetamide
Chemical Structure Depiction of
2-{3-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-1H-indol-1-yl}-N,N-diethylacetamide
2-{3-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-1H-indol-1-yl}-N,N-diethylacetamide
Compound characteristics
| Compound ID: | E587-0058 |
| Compound Name: | 2-{3-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-1H-indol-1-yl}-N,N-diethylacetamide |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C24 H27 N3 O4 S |
| Smiles: | CCN(CC)C(Cn1cc(c2ccccc12)SCC(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0089 |
| logD: | 3.0089 |
| logSw: | -3.1189 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.962 |
| InChI Key: | HXQGOZVUBCOONF-UHFFFAOYSA-N |