AC1MJQTY
2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)phenoxy]-N-(3-nitrophenyl)acetamide
Also Known As: Oprea1_781069|BAS 00727732|2-(4-(2-Amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)phenoxy)-N-(3-nitrophenyl)acetamide|AG-690/11837108|2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)phenoxy]-N-(3-nitrophenyl)acetamide|2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo(4H-6,7,8-trihydrochromen-4-yl))phenox y]-N-(3-nitrophenyl)acetamide|2-[4-(2-Amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-phenoxy]-N-(3-nitro-phenyl)-acetamide|2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)phenoxy]-N-(3-nitrophenyl)acetamide
| Molecular Formula | C26H24N4O6 |
|---|---|
| Molecular Weight | 488.1696 g/mol |
| LogP | 4.06318 |
| Topological Polar Surface Area | 157.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.1696 |
| Monoisotopic Mass | 488.1696 |
| Heavy Atoms | 36 |
| Complexity | 1351.2345 |
Chemical Identifiers
| CAS Number | 331981-36-3 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)OCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1)C |
Product Overview
AC1MJQTY (CAS 331981-36-3), with molecular formula C26H24N4O6 and molecular weight 488.1696 g/mol. IUPAC: 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)phenoxy]-N-(3-nitrophenyl)acetamide.