AC1NXQ1E
methyl (2Z)-2-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: AK-968/41017657|methyl (2E)-2-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|methyl (2Z)-2-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C23H24N4O4S |
|---|---|
| Molecular Weight | 452.15182 g/mol |
| LogP | 1.94162 |
| Topological Polar Surface Area | 87.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.15182 |
| Monoisotopic Mass | 452.15182 |
| Heavy Atoms | 32 |
| Complexity | 1393.078 |
Chemical Identifiers
| CAS Number | 496010-65-2 |
|---|---|
| SMILES | CCN1C=C(C(=N1)C)/C=C\2/C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC)C4=CC=C(C=C4)OC |
Product Overview
AC1NXQ1E (CAS 496010-65-2), with molecular formula C23H24N4O4S and molecular weight 452.15182 g/mol. IUPAC: methyl (2Z)-2-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
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