N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 5867-2009 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C28 H25 N3 O4 S |
| Smiles: | CC1(C)CC(c2c(c3ccccc3)c(C#N)c(nc2C1)SCC(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8002 |
| logD: | 4.8002 |
| logSw: | -4.7886 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.755 |
| InChI Key: | WQLLXAKAGRCJOM-UHFFFAOYSA-N |