AC1NWOKX
(4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Also Known As: Oprea1_314840|BAS 03305239|AB00116479-01|SR-01000487309-1|4-(4-ethoxybenzoyl)-5-(2-fluorophenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one|(4E)-4-[(4-ethoxyphenyl)(hydroxy)methylidene]-5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione|(4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione|4-(4-ethoxybenzoyl)-5-(2-fluorophenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one|4-(4-ethoxybenzoyl)-5-(2-fluorophenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one|4-[(4-ethoxyphenyl)carbonyl]-5-(2-fluorophenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C22H18FN3O4S |
|---|---|
| Molecular Weight | 439.10022 g/mol |
| LogP | 4.01062 |
| Topological Polar Surface Area | 92.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.10022 |
| Monoisotopic Mass | 439.10022 |
| Heavy Atoms | 31 |
| Complexity | 1189.4766 |
Chemical Identifiers
| CAS Number | 369403-87-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NN=C(S3)C)C4=CC=CC=C4F)/O |
Product Overview
AC1NWOKX (CAS 369403-87-2), with molecular formula C22H18FN3O4S and molecular weight 439.10022 g/mol. IUPAC: (4E)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione.