AC1O0ZME
methyl 2-[(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-2,3-dioxo-5-(3-prop-2-enoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: methyl 2-(2-(3-(allyloxy)phenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate|methyl 2-[(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-2,3-dioxo-5-(3-prop-2-enoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate|methyl 2-{(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C28H24N2O8S |
|---|---|
| Molecular Weight | 548.12537 g/mol |
| LogP | 4.20042 |
| Topological Polar Surface Area | 124.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 548.12537 |
| Monoisotopic Mass | 548.12537 |
| Heavy Atoms | 39 |
| Complexity | 1525.4509 |
Chemical Identifiers
| CAS Number | 620561-91-3 |
|---|---|
| SMILES | CC1=C(SC(=N1)N2C(/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C2=O)C5=CC(=CC=C5)OCC=C)C(=O)OC |
Product Overview
AC1O0ZME (CAS 620561-91-3), with molecular formula C28H24N2O8S and molecular weight 548.12537 g/mol. IUPAC: methyl 2-[(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-2,3-dioxo-5-(3-prop-2-enoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.