RefChem:813304
methyl 2-[(3E)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-2-(4-hexoxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: Methyl 2-(3-(3-fluoro-4-methylbenzoyl)-2-(4-(hexyloxy)-3-methoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate|637-798-0|METHYL 2-(3-(3-FLUORO-4-METHYLBENZOYL)-2-(4-(HEXYLOXY)-3-METHOXYPHENYL)-4-HYDRO XY-5-OXO-2,5-DIHYDRO-1H-PYRROL-1-YL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE|Methyl 2-{3-(3-fluoro-4-methylbenzoyl)-2-[4-(hexyloxy)-3-methoxyphenyl]-4-hydro XY-5-oxo-2,5-dihydro-1H-pyrrol-1-YL}-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C31H33FN2O7S |
|---|---|
| Molecular Weight | 596.1993 g/mol |
| LogP | 6.27964 |
| Topological Polar Surface Area | 115.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 596.1993 |
| Monoisotopic Mass | 596.1993 |
| Heavy Atoms | 42 |
| Complexity | 1547.9713 |
Chemical Identifiers
| CAS Number | 618072-66-5 |
|---|---|
| SMILES | CCCCCCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC(=C(C=C3)C)F)\O)/C(=O)C(=O)N2C4=NC(=C(S4)C(=O)OC)C)OC |
Product Overview
RefChem:813304 (CAS 618072-66-5), with molecular formula C31H33FN2O7S and molecular weight 596.1993 g/mol. IUPAC: methyl 2-[(3E)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-2-(4-hexoxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
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