AC1LD5I9
ethyl 2-[[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetate
Also Known As: ethyl {[3-cyano-5-hydroxy-4-(4-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate|ethyl 2-((3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetate|ethyl 2-[[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetate
| Molecular Formula | C23H26N2O4S |
|---|---|
| Molecular Weight | 426.16132 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.16132 |
| Monoisotopic Mass | 426.16132 |
| Heavy Atoms | 30 |
| Complexity | 812.0 |
Chemical Identifiers
| CAS Number | 799780-52-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)OC)C#N |
| InChIKey | YIAGYQPNZMFASB-UHFFFAOYSA-N |
Product Overview
AC1LD5I9 (CAS 799780-52-2), with molecular formula C23H26N2O4S and molecular weight 426.16132 g/mol. IUPAC: ethyl 2-[[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetate.
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