AC1N9A9E
ethyl 2-amino-4-[5-[(3-bromophenoxy)methyl]furan-2-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
Also Known As: AK-968/41021414|ethyl 2-amino-4-{5-[(3-bromophenoxy)methyl]-2-furyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate|ethyl 2-amino-4-[5-[(3-bromophenoxy)methyl]furan-2-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate|ethyl 2-amino-4-{5-[(3-bromophenoxy)methyl]furan-2-yl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
| Molecular Formula | C25H26BrNO6 |
|---|---|
| Molecular Weight | 515.09436 g/mol |
| LogP | 5.1115 |
| Topological Polar Surface Area | 100.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 515.09436 |
| Monoisotopic Mass | 515.09436 |
| Heavy Atoms | 33 |
| Complexity | 1159.1519 |
Chemical Identifiers
| CAS Number | 445032-72-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C(C1C3=CC=C(O3)COC4=CC(=CC=C4)Br)C(=O)CC(C2)(C)C)N |
Product Overview
AC1N9A9E (CAS 445032-72-4), with molecular formula C25H26BrNO6 and molecular weight 515.09436 g/mol. IUPAC: ethyl 2-amino-4-[5-[(3-bromophenoxy)methyl]furan-2-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate.
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