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FAK activator 1

CAT: 0127-BUP09203-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP09203-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1211825-25-0
Synonyms
ZN 27
Purity
=98%
Smiles
O=C(NC1=CC(=CC=C1N2CCOCC2)C(F)(F)F)N3CCCC3C4=CC=C(OC)C=C4

Chemical Information

2-(4-methoxyphenyl)-N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CAS Number1211825-25-0
PubChem CID45889460
IUPAC Name2-(4-methoxyphenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
Molecular FormulaC23H26F3N3O3
Molecular Weight449.5
XLogP3.7
Topological Polar Surface Area54
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity621
SMILES
COC1=CC=C(C=C1)C2CCCN2C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCOCC4
InChI
InChI=1S/C23H26F3N3O3/c1-31-18-7-4-16(5-8-18)20-3-2-10-29(20)22(30)27-19-15-17(23(24,25)26)6-9-21(19)28-11-13-32-14-12-28/h4-9,15,20H,2-3,10-14H2,1H3,(H,27,30)
InChIKey
MOEURIVQRFKTCR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-methoxyphenyl)-N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CAS: 1211825-25-0
CID: 45889460
Formula: C23H26F3N3O3
MW: 449.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.5
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass449.19262619
Monoisotopic Mass449.19262619
Topological Polar Surface Area54 Ų
Heavy Atom Count32
Formal Charge0
Complexity621
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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