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Pparδ agonist 1 5mg

CAT: 0628-A19544-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A19544-5Size:5 mg
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CAS Number
1902161-12-9

Chemical Information

(E)-6-[2-[[[4-(furan-2-yl)phenyl]carbonyl-methyl-amino]methyl]phenoxy]-4-methyl-hex-4-enoic acid
CAS Number1902161-12-9
PubChem CID121269371
IUPAC Name(E)-6-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]-4-methylhex-4-enoic acid
Molecular FormulaC26H27NO5
Molecular Weight433.5
XLogP4.5
Topological Polar Surface Area80
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count32
Formal Charge0
Complexity640
SMILES
C/C(=C\COC1=CC=CC=C1CN(C)C(=O)C2=CC=C(C=C2)C3=CC=CO3)/CCC(=O)O
InChI
InChI=1S/C26H27NO5/c1-19(9-14-25(28)29)15-17-32-24-7-4-3-6-22(24)18-27(2)26(30)21-12-10-20(11-13-21)23-8-5-16-31-23/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,28,29)/b19-15+
InChIKey
WZFMWAHUFRLQRH-XDJHFCHBSA-N
Chemical Structure
2D Structure
2D structure of (E)-6-[2-[[[4-(furan-2-yl)phenyl]carbonyl-methyl-amino]methyl]phenoxy]-4-methyl-hex-4-enoic acid
CAS: 1902161-12-9
CID: 121269371
Formula: C26H27NO5
MW: 433.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.5
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass433.18892296
Monoisotopic Mass433.18892296
Topological Polar Surface Area80 Ų
Heavy Atom Count32
Formal Charge0
Complexity640
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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