butyl [(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
butyl [(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate
butyl [(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 4554-6479 |
| Compound Name: | butyl [(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 346.45 |
| Molecular Formula: | C18 H22 N2 O3 S |
| Smiles: | CCCCOC(CSc1c(C#N)cc2C(CC(C)(C)Cc2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6566 |
| logD: | 3.6566 |
| logSw: | -3.756 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.164 |
| InChI Key: | AMUOCXTWVRMFSX-UHFFFAOYSA-N |