AC1NT8XY
(4E)-5-(3-bromophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Also Known As: HMS649A10|BIM-0002569.P001|5-(3-bromophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1-(1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one|(4E)-5-(3-bromophenyl)-4-[hydroxy(4-methylphenyl)methylidene]-1-(1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione|(4E)-5-(3-bromophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione|5-(3-bromophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1-(1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one|5-(3-bromophenyl)-3-hydroxy-4-[(4-methylphenyl)carbonyl]-1-(1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C20H14BrN3O3S |
|---|---|
| Molecular Weight | 454.99393 g/mol |
| LogP | 4.23532 |
| Topological Polar Surface Area | 83.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 454.99393 |
| Monoisotopic Mass | 454.99393 |
| Heavy Atoms | 28 |
| Complexity | 1094.1484 |
Chemical Identifiers
| CAS Number | 307541-75-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NN=CS3)C4=CC(=CC=C4)Br)/O |
Product Overview
AC1NT8XY (CAS 307541-75-9), with molecular formula C20H14BrN3O3S and molecular weight 454.99393 g/mol. IUPAC: (4E)-5-(3-bromophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione.