N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 5867-2069 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 451.54 |
| Molecular Formula: | C24 H25 N3 O4 S |
| Smiles: | CCc1c(C#N)c(nc2CC(C)(C)CC(c12)=O)SCC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0208 |
| logD: | 4.0208 |
| logSw: | -4.2816 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.027 |
| InChI Key: | NMAJLIJOSWGPGD-UHFFFAOYSA-N |