RefChem:813319
methyl 2-[(3E)-3-[(4-butoxyphenyl)-hydroxymethylidene]-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: Methyl 2-(3-(4-butoxybenzoyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate|638-576-6|Methyl 2-(3-(4-butoxybenzoyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-YL)-4-methyl-1,3-thiazole-5-carboxylate|methyl 2-[3-(4-butoxybenzoyl)-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C27H25FN2O6S |
|---|---|
| Molecular Weight | 524.1417 g/mol |
| LogP | 5.18242 |
| Topological Polar Surface Area | 106.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 524.1417 |
| Monoisotopic Mass | 524.1417 |
| Heavy Atoms | 37 |
| Complexity | 1381.7882 |
Chemical Identifiers
| CAS Number | 617697-90-2 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OC)C)C4=CC(=CC=C4)F)/O |
Product Overview
RefChem:813319 (CAS 617697-90-2), with molecular formula C27H25FN2O6S and molecular weight 524.1417 g/mol. IUPAC: methyl 2-[(3E)-3-[(4-butoxyphenyl)-hydroxymethylidene]-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.