AC1NP7XE
methyl 6-amino-4-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate
Also Known As: AK-968/41022956|methyl 6-amino-4-{5-[(4-chloro-3-methylphenoxy)methyl]-2-furyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate|methyl 6-amino-4-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate|methyl 6-amino-4-(5-((4-chloro-3-methylphenoxy)methyl)furan-2-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate|methyl 6-amino-4-{5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
| Molecular Formula | C21H19ClN2O5 |
|---|---|
| Molecular Weight | 414.09824 g/mol |
| LogP | 4.0751 |
| Topological Polar Surface Area | 107.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.09824 |
| Monoisotopic Mass | 414.09824 |
| Heavy Atoms | 29 |
| Complexity | 1061.264 |
Chemical Identifiers
| CAS Number | 445232-13-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC2=CC=C(O2)C3C(=C(OC(=C3C(=O)OC)C)N)C#N)Cl |
Product Overview
AC1NP7XE (CAS 445232-13-3), with molecular formula C21H19ClN2O5 and molecular weight 414.09824 g/mol. IUPAC: methyl 6-amino-4-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate.