AC1MJ2M2
2-amino-4-(3-ethoxy-4-phenylmethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
Also Known As: Oprea1_377106|Oprea1_471487|BAS 01337688|2-amino-4-[4-(benzyloxy)-3-ethoxyphenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile|2-amino-4-(3-ethoxy-4-phenylmethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile|2-amino-4-(4-(benzyloxy)-3-ethoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
| Molecular Formula | C27H28N2O4 |
|---|---|
| Molecular Weight | 444.2049 g/mol |
| LogP | 5.11518 |
| Topological Polar Surface Area | 94.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.2049 |
| Monoisotopic Mass | 444.2049 |
| Heavy Atoms | 33 |
| Complexity | 1172.3527 |
Chemical Identifiers
| CAS Number | 337498-99-4 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)OCC4=CC=CC=C4 |
Product Overview
AC1MJ2M2 (CAS 337498-99-4), with molecular formula C27H28N2O4 and molecular weight 444.2049 g/mol. IUPAC: 2-amino-4-(3-ethoxy-4-phenylmethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile.
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