AC1MK1KN
ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: Oprea1_393163|Oprea1_817632|BAS 00915211|ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|3-methyl-2-(1-oxohexadecylamino)butanoic acid|AK-968/12022048|SR-01000419132-1|ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate|ETHYL 4-(3-BROMO-5-ETHOXY-4-HYDROXY-PHENYL)-2,7,7-TRIMETHYL-5-OXO-1,4,6,8-TETRAHYDROQUINOLINE-3-CARBOXYLATE|ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
| Molecular Formula | C23H28BrNO5 |
|---|---|
| Molecular Weight | 477.11508 g/mol |
| LogP | 4.7205 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 477.11508 |
| Monoisotopic Mass | 477.11508 |
| Heavy Atoms | 30 |
| Complexity | 960.5853 |
Chemical Identifiers
| CAS Number | 4529-13-9 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC)C)Br)O |
Product Overview
AC1MK1KN (CAS 4529-13-9), with molecular formula C23H28BrNO5 and molecular weight 477.11508 g/mol. IUPAC: ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
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