AC1NPZTJ
methyl 4-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-2-yl]benzoate
Also Known As: 4-(2,5-dioxopyrrol-1-yl)butanoic Acid|methyl 4-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-2-yl]benzoate|METHYL 4-[1-(4,6-DIMETHYLBENZOTHIAZOL-2-YL)-3-[(4-FLUOROPHENYL)-HYDROXY-METHYLIDENE]-4,5-DIOXO-PYRROLIDIN-2-YL]BENZOATE|Methyl 4-{1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)(hydroxy)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
| Molecular Formula | C28H21FN2O5S |
|---|---|
| Molecular Weight | 516.11554 g/mol |
| LogP | 5.46514 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 516.11554 |
| Monoisotopic Mass | 516.11554 |
| Heavy Atoms | 37 |
| Complexity | 1606.3452 |
Chemical Identifiers
| CAS Number | 5708-79-2 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC=C(C=C4)F)O)C(=O)C3=O)C5=CC=C(C=C5)C(=O)OC)C |
Product Overview
AC1NPZTJ (CAS 5708-79-2), with molecular formula C28H21FN2O5S and molecular weight 516.11554 g/mol. IUPAC: methyl 4-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-2-yl]benzoate.