AC1NRITQ
methyl 4-[3-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate
Also Known As: Methyl 4-{3-[(3-butoxyphenyl)(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl}benzoate|METHYL 4-[3-[(3-BUTOXYPHENYL)-HYDROXY-METHYLIDENE]-1-(6-ETHOXYBENZOTHIAZOL-2-YL)-4,5-DIOXO-PYRROLIDIN-2-YL]BENZOATE|methyl 4-[3-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate
| Molecular Formula | C32H30N2O7S |
|---|---|
| Molecular Weight | 586.17737 g/mol |
| LogP | 6.2868 |
| Topological Polar Surface Area | 115.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 586.17737 |
| Monoisotopic Mass | 586.17737 |
| Heavy Atoms | 42 |
| Complexity | 1675.9528 |
Chemical Identifiers
| CAS Number | 7018-08-8 |
|---|---|
| SMILES | CCCCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)OCC)C5=CC=C(C=C5)C(=O)OC)O |
Product Overview
AC1NRITQ (CAS 7018-08-8), with molecular formula C32H30N2O7S and molecular weight 586.17737 g/mol. IUPAC: methyl 4-[3-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate.
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