| CAS Number | 1011531-27-3 |
| Catalog Number | AG01DZC0 |
| Chemical Name | AM4668 |
| IUPAC Name | (3S)-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoic acid |
| InChI | InChI=1S/C24H19F3N2O4S/c1-14-21(34-23(28-14)16-2-6-17(7-3-16)24(25,26)27)13-32-18-8-4-15(5-9-18)19(12-22(30)31)20-10-11-33-29-20/h2-11,19H,12-13H2,1H3,(H,30,31)/t19-/m0/s1 |
| InChI Key | BMLGZNVPWRUVNM-IBGZPJMESA-N |
| MDL Number | MFCD28411391 |
| Molecular Formula | C24H19F3N2O4S |
| Molecular Weight | 488.4789 |
| SMILES | C1(C(F)(F)F)C=CC(C2SC(COC3C=CC([C@@H](C4=NOC=C4)CC(=O)O)=CC=3)=C(C)N=2)=CC=1 |
| Synonyms | CHEMBL3287574,
1011531-27-3,
AM 4668,
SCHEMBL2239829,
AM4668,
BDBM50019969,
AKOS030210955,
(?S)-?-[4-[[4-Methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methoxy]phenyl)-3-isoxazolepropanoic acid,
BMLGZNVPWRUVNM-IBGZPJMESA-N,
|
| Complexity | 669 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 488.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 488.481g/mol |
| Monoisotopic Mass | 488.102g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number