AC1LD5BZ
2-amino-4-(4-butoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
Also Known As: CBMicro_015805|BAS 00512922|BIM-0015698.P001|AB00076846-01|2-Amino-4-(4-butoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile|2-amino-4-(4-butoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile|2-amino-4-(4-butoxyphenyl)-7,7-dimethyl-5-oxo-4H-6,7,8-trihydrochromene-3-carb onitrile|2-Amino-4-(4-butoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile #|2-Amino-4-(4-butoxyphenyl)-7,8-dihydro-7,7-dimethyl-5(6H)-oxo-4H-benzo[b]pyran-3-carbonitrile
| Molecular Formula | C22H26N2O3 |
|---|---|
| Molecular Weight | 366.19434 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.19434 |
| Monoisotopic Mass | 366.19434 |
| Heavy Atoms | 27 |
| Complexity | 702.0 |
Chemical Identifiers
| CAS Number | 329692-66-2 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N |
| InChIKey | VXPKTTQZNFSDDV-UHFFFAOYSA-N |
Product Overview
AC1LD5BZ (CAS 329692-66-2), with molecular formula C22H26N2O3 and molecular weight 366.19434 g/mol. IUPAC: 2-amino-4-(4-butoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile.