| CAS Number | 1965304-81-7 |
| Catalog Number | AG01F5QK(AGN-PC-3H4946) |
| Chemical Name | Ethyl 2-(4-trifluoromethoxyphenyl)-4-phenylthiazole-5-carboxylate |
| IUPAC Name | ethyl 4-phenyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxylate |
| InChI | InChI=1S/C19H14F3NO3S/c1-2-25-18(24)16-15(12-6-4-3-5-7-12)23-17(27-16)13-8-10-14(11-9-13)26-19(20,21)22/h3-11H,2H2,1H3 |
| InChI Key | GUKOZLZKNGHNLZ-UHFFFAOYSA-N |
| MDL Number | MFCD28166212 |
| Molecular Formula | C19H14F3NO3S |
| Molecular Weight | 393.3796 |
| SMILES | CCOC(=O)c1sc(nc1c1ccccc1)c1ccc(cc1)OC(F)(F)F |
| Synonyms | Ethyl 2-(4-trifluoromethoxyphenyl)-4-phenylthiazole-5-carboxylate,
1965304-81-7,
ZINC219038766,
|
| Complexity | 491 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 393.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 393.38g/mol |
| Monoisotopic Mass | 393.065g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 76.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number