AC1MJTS2
ethyl 2-amino-7,7-dimethyl-4-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
Also Known As: Oprea1_480711|Oprea1_621730|BAS 00758906|J2.127.374K|ethyl 2-amino-7,7-dimethyl-4-(4-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate|SR-01000360367-1|ethyl 2-amino-7,7-dimethyl-4-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate|2-Amino-4-(4-methylphenyl)-5-oxo-7,7-dimethyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylic acid ethyl ester|2-Amino-7,7-dimethyl-5-oxo-4-(4-methylphenyl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylic acid ethyl ester|ethyl 2-amino-7,7-dimethyl-5-oxo-4-(p-tolyl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
| Molecular Formula | C21H25NO4 |
|---|---|
| Molecular Weight | 355.17834 g/mol |
| LogP | 3.48542 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.17834 |
| Monoisotopic Mass | 355.17834 |
| Heavy Atoms | 26 |
| Complexity | 814.9178 |
Chemical Identifiers
| CAS Number | 333341-22-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)C)C(=O)CC(C2)(C)C)N |
Product Overview
AC1MJTS2 (CAS 333341-22-3), with molecular formula C21H25NO4 and molecular weight 355.17834 g/mol. IUPAC: ethyl 2-amino-7,7-dimethyl-4-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate.