AC1Q2DFN
benzyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: CBMicro_020846|Oprea1_047220|Oprea1_575507|CCG-8801|BAS 00410564|benzyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate|BIM-0020946.P001|AG-690/36718020|benzyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|SR-01000403458-1|benzyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate|phenylmethyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahydroquino line-3-carboxylate
| Molecular Formula | C26H26BrNO3 |
|---|---|
| Molecular Weight | 479.10962 g/mol |
| LogP | 5.7965 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 479.10962 |
| Monoisotopic Mass | 479.10962 |
| Heavy Atoms | 31 |
| Complexity | 1098.645 |
Chemical Identifiers
| CAS Number | 5474-31-7 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)Br)C(=O)OCC4=CC=CC=C4 |
Product Overview
AC1Q2DFN (CAS 5474-31-7), with molecular formula C26H26BrNO3 and molecular weight 479.10962 g/mol. IUPAC: benzyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
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