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PF-06737007 5mg

CAT: 0628-A17179-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A17179-5Size:5 mg
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CAS Number
1863905-38-7

Chemical Information

2-((3R,4S)-3-Fluoro-1-(2-(4-(trifluoromethoxy)phenyl)acetyl)piperidin-4-yloxy)-4-(2-hydroxy-2-methylpropoxy)benzamide
CAS Number1863905-38-7
PubChem CID118665627
IUPAC Name2-[(3R,4S)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-4-(2-hydroxy-2-methylpropoxy)benzamide
Molecular FormulaC25H28F4N2O6
Molecular Weight528.5
XLogP3.6
Topological Polar Surface Area111
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity775
SMILES
CC(C)(COC1=CC(=C(C=C1)C(=O)N)O[C@H]2CCN(C[C@H]2F)C(=O)CC3=CC=C(C=C3)OC(F)(F)F)O
InChI
InChI=1S/C25H28F4N2O6/c1-24(2,34)14-35-17-7-8-18(23(30)33)21(12-17)36-20-9-10-31(13-19(20)26)22(32)11-15-3-5-16(6-4-15)37-25(27,28)29/h3-8,12,19-20,34H,9-11,13-14H2,1-2H3,(H2,30,33)/t19-,20+/m1/s1
InChIKey
AUTGNDRENPBZKA-UXHICEINSA-N
Chemical Structure
2D Structure
2D structure of 2-((3R,4S)-3-Fluoro-1-(2-(4-(trifluoromethoxy)phenyl)acetyl)piperidin-4-yloxy)-4-(2-hydroxy-2-methylpropoxy)benzamide
CAS: 1863905-38-7
CID: 118665627
Formula: C25H28F4N2O6
MW: 528.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight528.5
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass528.18834927
Monoisotopic Mass528.18834927
Topological Polar Surface Area111 Ų
Heavy Atom Count37
Formal Charge0
Complexity775
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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