| CID | 9803963 |
|---|---|
| CAS | 317318-70-0 |
| InChI | InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22, 23)24/h3-9H, 10-11H2, 1-2H3, (H, 26, 27) |
| InChIKey | YDBLKRPLXZNVNB-UHFFFAOYSA-N |
| Canonical SMILES | CC1=C(C=CC(=C1)SCC2=C(N=C(S2)C3=CC=C(C=C3)C(F)(F)F)C)OCC(=O)O |
| IUPAC Name | 2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1, 3-thiazol-5-yl]methylsulfanyl]phenoxy]acetic acid |
| Molecular Formula | C21H18F3NO3S2 |
| Molecular Weight | 453.5 |
| Monoisotopic Mass | 453.06802027 |
| Polar Area | 113 |
| Complexity | 572 |
| XLogP | 5.9 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Physical Appearance | Clear Liquid |
| Stability | Room Temperature |
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