AC1MIXGA
butyl 4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00381127|butyl 4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|AG-690/33355062|SR-01000396650-1|butyl 4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate|butyl 4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate|butyl 4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahydroquinoline-3-c arboxylate
| Molecular Formula | C23H28INO3 |
|---|---|
| Molecular Weight | 493.1114 g/mol |
| LogP | 5.2385 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 493.1114 |
| Monoisotopic Mass | 493.1114 |
| Heavy Atoms | 28 |
| Complexity | 866.35333 |
Chemical Identifiers
| CAS Number | 296262-94-7 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)I)C(=O)CC(C2)(C)C)C |
Product Overview
AC1MIXGA (CAS 296262-94-7), with molecular formula C23H28INO3 and molecular weight 493.1114 g/mol. IUPAC: butyl 4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
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