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PF-04745637 200mg

CAT: 0628-A22060-200Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0628-A22060-200Size:200 mg
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CAS Number
1917294-46-2

Chemical Information

1-(4-chlorophenyl)-N-(2-(4-hydroxy-4-(trifluoromethyl)piperidin-1-yl)-3-phenylpropyl)cyclopentane-1-carboxamide
CAS Number1917294-46-2
PubChem CID121304823
IUPAC Name1-(4-chlorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclopentane-1-carboxamide
Molecular FormulaC27H32ClF3N2O2
Molecular Weight509.0
XLogP6.1
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity691
SMILES
C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)NCC(CC3=CC=CC=C3)N4CCC(CC4)(C(F)(F)F)O
InChI
InChI=1S/C27H32ClF3N2O2/c28-22-10-8-21(9-11-22)25(12-4-5-13-25)24(34)32-19-23(18-20-6-2-1-3-7-20)33-16-14-26(35,15-17-33)27(29,30)31/h1-3,6-11,23,35H,4-5,12-19H2,(H,32,34)
InChIKey
PAEBEJVPSADOMC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-chlorophenyl)-N-(2-(4-hydroxy-4-(trifluoromethyl)piperidin-1-yl)-3-phenylpropyl)cyclopentane-1-carboxamide
CAS: 1917294-46-2
CID: 121304823
Formula: C27H32ClF3N2O2
MW: 509.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight509.0
XLogP36.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass508.2104404
Monoisotopic Mass508.2104404
Topological Polar Surface Area52.6 Ų
Heavy Atom Count35
Formal Charge0
Complexity691
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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