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CCG-257081

CAT: 0127-BUP08364-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP08364-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1922098-90-5
Synonyms
MRTF/SRF-IN-1, CCG257081, CCG 257081
Purity
=98%
Smiles
C(=O)(C=1C=C(C=C(F)C1)C=2C=CN=CC2)N3CC(C(NC4=CC=C(Cl)C=C4)=O)CC(F)(F)C3

Chemical Information

N-(4-chlorophenyl)-5,5-difluoro-1-[3-fluoro-5-(pyridin-4-yl)benzoyl]piperidine-3-carboxamide
CAS Number1922098-90-5
PubChem CID121317995
IUPAC NameN-(4-chlorophenyl)-5,5-difluoro-1-(3-fluoro-5-pyridin-4-ylbenzoyl)piperidine-3-carboxamide
Molecular FormulaC24H19ClF3N3O2
Molecular Weight473.9
XLogP4.3
Topological Polar Surface Area62.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity698
SMILES
C1C(CN(CC1(F)F)C(=O)C2=CC(=CC(=C2)C3=CC=NC=C3)F)C(=O)NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H19ClF3N3O2/c25-19-1-3-21(4-2-19)30-22(32)18-12-24(27,28)14-31(13-18)23(33)17-9-16(10-20(26)11-17)15-5-7-29-8-6-15/h1-11,18H,12-14H2,(H,30,32)
InChIKey
BEDJWRJGMARXLZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-chlorophenyl)-5,5-difluoro-1-[3-fluoro-5-(pyridin-4-yl)benzoyl]piperidine-3-carboxamide
CAS: 1922098-90-5
CID: 121317995
Formula: C24H19ClF3N3O2
MW: 473.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.9
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass473.1117890
Monoisotopic Mass473.1117890
Topological Polar Surface Area62.3 Ų
Heavy Atom Count33
Formal Charge0
Complexity698
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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