AC1MEQM5
ethyl 4-(4-bromo-5-methylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: Oprea1_431450|Oprea1_792616|AG-690/11663409|A1722/0073368|SR-01000466512-1|ethyl 4-(4-bromo-5-methylthien-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|ethyl 4-(4-bromo-5-methylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate|ethyl 4-(4-bromo-5-methyl(2-thienyl))-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahyd roquinoline-3-carboxylate|ethyl 4-(4-bromo-5-methylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C20H24BrNO3S |
|---|---|
| Molecular Weight | 437.06604 g/mol |
| LogP | 4.98612 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 437.06604 |
| Monoisotopic Mass | 437.06604 |
| Heavy Atoms | 26 |
| Complexity | 827.7378 |
Chemical Identifiers
| CAS Number | 5664-75-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(S3)C)Br)C(=O)CC(C2)(C)C)C |
Product Overview
AC1MEQM5 (CAS 5664-75-5), with molecular formula C20H24BrNO3S and molecular weight 437.06604 g/mol. IUPAC: ethyl 4-(4-bromo-5-methylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.