| CAS Number | 1965304-86-2 |
| Catalog Number | AG01F7KI(AGN-PC-3H497H) |
| Chemical Name | Ethyl 2-(4-hydroxyphenyl)-4-phenylthiazole-5-carboxylate |
| IUPAC Name | ethyl 2-(4-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxylate |
| InChI | InChI=1S/C18H15NO3S/c1-2-22-18(21)16-15(12-6-4-3-5-7-12)19-17(23-16)13-8-10-14(20)11-9-13/h3-11,20H,2H2,1H3 |
| InChI Key | DIVGZFXXGXUFIZ-UHFFFAOYSA-N |
| MDL Number | MFCD20265236 |
| Molecular Formula | C18H15NO3S |
| Molecular Weight | 325.3816 |
| SMILES | CCOC(=O)c1sc(nc1c1ccccc1)c1ccc(cc1)O |
| Synonyms | Ethyl 2-(4-hydroxyphenyl)-4-phenylthiazole-5-carboxylate,
1965304-86-2,
MFCD20265236,
ZINC98071504,
2-(4-Hydroxyphenyl)-4-phenylthiazole-5-carboxylic acid ethyl ester,
1858252-07-9,
|
| Complexity | 392 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.382g/mol |
| Monoisotopic Mass | 325.077g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
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Certificate of Analysis
Lot Number