AC1O4JPZ
8-O-ethyl 6-O-methyl (2Z)-5-amino-3-oxo-7-(4-propan-2-ylphenyl)-2-[(4-propan-2-ylphenyl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
Also Known As: ChemDiv1_020820|(Z)-8-ethyl 6-methyl 5-amino-2-(4-isopropylbenzylidene)-7-(4-isopropylphenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6,8-dicarboxylate|8-ethyl 6-methyl (2Z)-5-amino-3-oxo-2-[4-(propan-2-yl)benzylidene]-7-[4-(propan-2-yl)phenyl]-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate|8-O-ethyl 6-O-methyl (2Z)-5-amino-3-oxo-7-(4-propan-2-ylphenyl)-2-[(4-propan-2-ylphenyl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
| Molecular Formula | C31H34N2O5S |
|---|---|
| Molecular Weight | 546.2189 g/mol |
| LogP | 3.7969 |
| Topological Polar Surface Area | 100.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 546.2189 |
| Monoisotopic Mass | 546.2189 |
| Heavy Atoms | 39 |
| Complexity | 1606.9797 |
Chemical Identifiers
| CAS Number | 313382-07-9 |
|---|---|
| SMILES | CCOC(=O)C1=C2N(C(=C(C1C3=CC=C(C=C3)C(C)C)C(=O)OC)N)C(=O)/C(=C/C4=CC=C(C=C4)C(C)C)/S2 |
Product Overview
AC1O4JPZ (CAS 313382-07-9), with molecular formula C31H34N2O5S and molecular weight 546.2189 g/mol. IUPAC: 8-O-ethyl 6-O-methyl (2Z)-5-amino-3-oxo-7-(4-propan-2-ylphenyl)-2-[(4-propan-2-ylphenyl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate.
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