N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(8-methoxy-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(8-methoxy-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(8-methoxy-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G751-5468 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(8-methoxy-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}acetamide |
| Molecular Weight: | 412.46 |
| Molecular Formula: | C21 H20 N2 O5 S |
| Smiles: | COc1cccc2C(C=C(CSCC(NCc3ccc4c(c3)OCO4)=O)Nc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8326 |
| logD: | 2.7137 |
| logSw: | -3.5069 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.727 |
| InChI Key: | VOCKVHKXTPBASF-UHFFFAOYSA-N |