AC1NZN8E
methyl 2-[(3E)-2-(3-chlorophenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: methyl 2-(2-(3-chlorophenyl)-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-[(3E)-2-(3-chlorophenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate|methyl 2-{(3E)-2-(3-chlorophenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C25H19ClN2O7S |
|---|---|
| Molecular Weight | 526.0601 g/mol |
| LogP | 4.28902 |
| Topological Polar Surface Area | 115.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 526.0601 |
| Monoisotopic Mass | 526.0601 |
| Heavy Atoms | 36 |
| Complexity | 1447.9094 |
Chemical Identifiers
| CAS Number | 620561-76-4 |
|---|---|
| SMILES | CC1=C(SC(=N1)N2C(/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C2=O)C5=CC(=CC=C5)Cl)C(=O)OC |
Product Overview
AC1NZN8E (CAS 620561-76-4), with molecular formula C25H19ClN2O7S and molecular weight 526.0601 g/mol. IUPAC: methyl 2-[(3E)-2-(3-chlorophenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.