zly032

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 1
PubChem 155565451
Molecular Formula

C22H18F3NO4S

SMILES

CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)COC3=CC4=C(C=C3)[C@@H](CO4)CC(=O)O

InChI

InChI=1S/C22H18F3NO4S/c1-12-19(31-21(26-12)13-2-4-15(5-3-13)22(23,24)25)11-29-16-6-7-17-14(8-20(27)28)10-30-18(17)9-16/h2-7,9,14H,8,10-11H2,1H3,(H,27,28)/t14-/m1/s1

synonyms
  • 2314465-67-1
  • (3S)-2,3-dihydro-6-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methoxy]-3-benzofuranacetic acid
  • ZLY032
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Properties
Property Value
MW 449.4 g/mol
HBD 1
HBA 9
Rotatable Bond Count 6
Exact Mass 449.09086372 g/mol
Monoisotopic Mass 449.09086372 g/mol
Heavy Atom Count 31
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 628
xlogp 4.7
Topological Polar Surface Area 96.9