AC1MQ9JE
2-amino-4-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: Oprea1_593729|2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile|2-amino-4-(4-((2-chlorobenzyl)oxy)-3-ethoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile|2-amino-4-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile|2-AMINO-4-{4-[(2-CHLOROPHENYL)METHOXY]-3-ETHOXYPHENYL}-5-OXO-4,6,7,8-TETRAHYDROCHROMENE-3-CARBONITRILE
| Molecular Formula | C25H23ClN2O4 |
|---|---|
| Molecular Weight | 450.13464 g/mol |
| LogP | 5.13248 |
| Topological Polar Surface Area | 94.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.13464 |
| Monoisotopic Mass | 450.13464 |
| Heavy Atoms | 32 |
| Complexity | 1162.7721 |
Chemical Identifiers
| CAS Number | 395680-79-2 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)OCC4=CC=CC=C4Cl |
Product Overview
AC1MQ9JE (CAS 395680-79-2), with molecular formula C25H23ClN2O4 and molecular weight 450.13464 g/mol. IUPAC: 2-amino-4-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.