| CAS Number | 870554-67-9 |
| Catalog Number | AG01EOZR(AGN-PC-0VA8FW) |
| Chemical Name | 5Z-[(5-bromo-2-methoxyphenyl)methylene]-3-[(4-methylphenyl)methyl]-2,4-thiazolidinedione |
| IUPAC Name | (5Z)-5-[(5-bromo-2-methoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione |
| InChI | InChI=1S/C19H16BrNO3S/c1-12-3-5-13(6-4-12)11-21-18(22)17(25-19(21)23)10-14-9-15(20)7-8-16(14)24-2/h3-10H,11H2,1-2H3/b17-10- |
| InChI Key | AMLZLORVKZAHOH-YVLHZVERSA-N |
| MDL Number | MFCD28334212 |
| Molecular Formula | C19H16BrNO3S |
| Molecular Weight | 418.3042 |
| SMILES | BrC=1C=CC(=C(\C=C/2\C(N(C(S2)=O)CC2=CC=C(C=C2)C)=O)C1)OC |
| Synonyms | GQ-16,
(Z)-5-(5-bromo-2-methoxybenzylidene)-3-(4-methylbenzyl)thiazolidine-2,4-dione,
870554-67-9,
SCHEMBL6693764,
777075-57-7,
ZINC95644665,
AKOS002401088,
J3.660.756D,
5Z-[(5-bromo-2-methoxyphenyl)methylene]-3-[(4-methylphenyl)methyl]-2,4-thiazolidinedione,
CID11509958,
CID 11509958,
(5z)-5-(5-Bromo-2-Methoxybenzylidene)-3-(4-Methylbenzyl)-1,3-Thiazolidine-2,4-Dione,
2,4-Thiazolidinedione, 5-[(5-bromo-2-methoxyphenyl)methylene]-3-[(4-methylphenyl)methyl]-, (5Z)-,
|
| Complexity | 545 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 417.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 418.305g/mol |
| Monoisotopic Mass | 417.003g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 71.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number