AC1MKBSW
2-amino-4-(3-ethoxy-4-propoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
Also Known As: Oprea1_762381|BAS 06899774|AM-807/12740026|2-amino-4-[3-(ethyloxy)-4-(propyloxy)phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile|SR-01000364316-1|2-amino-4-(3-ethoxy-4-propoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile|2-amino-4-(3-ethoxy-4-propoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
| Molecular Formula | C23H28N2O4 |
|---|---|
| Molecular Weight | 396.2049 g/mol |
| LogP | 4.32498 |
| Topological Polar Surface Area | 94.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.2049 |
| Monoisotopic Mass | 396.2049 |
| Heavy Atoms | 29 |
| Complexity | 921.2958 |
Chemical Identifiers
| CAS Number | 445265-93-0 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)OCC |
Product Overview
AC1MKBSW (CAS 445265-93-0), with molecular formula C23H28N2O4 and molecular weight 396.2049 g/mol. IUPAC: 2-amino-4-(3-ethoxy-4-propoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile.
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