| CAS Number | 1050506-87-0 |
| Catalog Number | AG008TGL |
| Chemical Name | Benzenepropanoic acid, 4-[[4-(2-chlorophenyl)-2-thiazolyl]methoxy]-2-methyl- |
| IUPAC Name | 3-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenyl]propanoic acid |
| InChI | InChI=1S/C20H18ClNO3S/c1-13-10-15(8-6-14(13)7-9-20(23)24)25-11-19-22-18(12-26-19)16-4-2-3-5-17(16)21/h2-6,8,10,12H,7,9,11H2,1H3,(H,23,24) |
| InChI Key | PNGZPTUFKSLWEZ-UHFFFAOYSA-N |
| MDL Number | MFCD11616256 |
| Molecular Formula | C20H18ClNO3S |
| Molecular Weight | 387.8798 |
| SMILES | C1(=CSC(COC2=CC=C(C(C)=C2)CCC(O)=O)=N1)C1=CC=CC=C1Cl |
| Synonyms | GPR120 modulator 2,
1050506-87-0,
Benzenepropanoic acid, 4-[[4-(2-chlorophenyl)-2-thiazolyl]methoxy]-2-methyl-,
3-(4-{[4-(2-CHLOROPHENYL)-1,3-THIAZOL-2-YL]METHOXY}-2-METHYLPHENYL)PROPANOIC ACID,
3-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenyl]propanoic acid,
SCHEMBL13484553,
DTXSID30648434,
3476AH,
ZINC95641931,
AKOS030526227,
CS-0759,
HY-50172,
W-5488,
C20H18ClNO3S,
A3442,
A15095,
|
| Complexity | 466 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 387.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 387.878g/mol |
| Monoisotopic Mass | 387.07g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number