RefChem:813318
methyl 2-[(3E)-3-[(4-butoxyphenyl)-hydroxymethylidene]-2-(3-ethoxy-4-propoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: 638-613-6|METHYL 2-(3-(4-BUTOXYBENZOYL)-2-(3-ETHOXY-4-PROPOXYPHENYL)-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-ethoxy-4-propoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate|METHYL 2-[3-(4-BUTOXYBENZOYL)-2-(3-ETHOXY-4-PROPOXYPHENYL)-4-HYDROXY-5-OXO-2,5-DIHYDRO-1H-PYRROL-1-YL]-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE
| Molecular Formula | C32H36N2O8S |
|---|---|
| Molecular Weight | 608.21924 g/mol |
| LogP | 6.23082 |
| Topological Polar Surface Area | 124.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 608.21924 |
| Monoisotopic Mass | 608.21924 |
| Heavy Atoms | 43 |
| Complexity | 1512.0055 |
Chemical Identifiers
| CAS Number | 618071-75-3 |
|---|---|
| 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(=C(C=C4)OCCC)OCC)/O |
Product Overview
RefChem:813318 (CAS 618071-75-3), with molecular formula C32H36N2O8S and molecular weight 608.21924 g/mol. IUPAC: methyl 2-[(3E)-3-[(4-butoxyphenyl)-hydroxymethylidene]-2-(3-ethoxy-4-propoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
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