AC1M0KTN
[(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 4-methylbenzenesulfonate
Also Known As: (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methylbenzenesulfonate|F3385-2479|(2Z)-3-oxo-2-[(pyridin-4-yl)methylidene]-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzene-1-sulfonate|[(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 4-methylbenzenesulfonate|3-oxo-2-(4-pyridylmethylene)benzo[3,4-b]furan-6-yl 4-methylbenzenesulfonate|(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzenesulfonate
| Molecular Formula | C21H15NO5S |
|---|---|
| Molecular Weight | 393.0671 g/mol |
| LogP | 3.77392 |
| Topological Polar Surface Area | 82.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.0671 |
| Monoisotopic Mass | 393.0671 |
| Heavy Atoms | 28 |
| Complexity | 1183.2255 |
Chemical Identifiers
| CAS Number | 896804-08-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=NC=C4)/O3 |
Product Overview
AC1M0KTN (CAS 896804-08-3), with molecular formula C21H15NO5S and molecular weight 393.0671 g/mol. IUPAC: [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 4-methylbenzenesulfonate.
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