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447406-78-2

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Basic Information
CAS No.: 447406-78-2
Name: Sodelglitazar
Article Data: 2
Molecular Structure:
Molecular Structure of 447406-78-2 (Sodelglitazar)
Formula: C23H21F4NO3S2
Molecular Weight: 499.55
Synonyms: 2-[4-[[[2-[2-Fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methyl]sulfanyl]-2-methylphenoxy]-2-methylpropanoicacid;GW 677954;Sodelglitazar;
Density: 1.40
Boiling Point: 588.0±60.0 °C(Predicted)
PSA: 112.96000
LogP: 7.11910
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  • Sodelglitazar

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    447406-78-2

    Sodelglitazar

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Specification

The Sodelglitazar with the 447406-78-2 is also called Propanoic acid,2-[4-[[[2-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5-thiazolyl]methyl]thio]-2-methylphenoxy]-2-methyl-. The IUPAC name is 2-[4-[[2-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methylsulfanyl]-2-methylphenoxy]-2-methylpropanoic acid. Its molecular formula is C23H21F4NO3S2. It is treatment of type 2 diabetes.

Properties Computed from Structure: (1)XLogP3-AA: 6.6; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 8; (4)Rotatable Bond Count: 7; (5)Exact Mass: 499.089898; (6)MonoIsotopic Mass: 499.089898; (7)Topological Polar Surface Area: 113; (8)Heavy Atom Count: 33; (9)Formal Charge: 0; (10)Complexity: 681; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure:
(1)SMILES: c1(c2nc(C)c(CSc3cc(c(cc3)OC(C(O)=O)(C)C)C)s2)c(F)cc(C(F)(F)F)cc1
(2)InChI: InChI=1/C23H21F4NO3S2/c1-12-9-15(6-8-18(12)31-22(3,4)21(29)30)32-11-19-13(2)28-20(33-19)16-7-5-14(10-17(16)24)23(25,26)27/h5-10H,11H2,1-4H3,(H,29,30)