AC1NXYXX
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Also Known As: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione|4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-5-(2-fluorophenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C22H16FN3O5S |
|---|---|
| Molecular Weight | 453.07947 g/mol |
| LogP | 3.38312 |
| Topological Polar Surface Area | 101.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 453.07947 |
| Monoisotopic Mass | 453.07947 |
| Heavy Atoms | 32 |
| Complexity | 1288.0756 |
Chemical Identifiers
| CAS Number | 577765-40-3 |
|---|---|
| SMILES | CC1=NN=C(S1)N2C(/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C2=O)C5=CC=CC=C5F |
Product Overview
AC1NXYXX (CAS 577765-40-3), with molecular formula C22H16FN3O5S and molecular weight 453.07947 g/mol. IUPAC: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione.
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