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CZC-25146 50mg

CAT: 0628-A17125-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A17125-50Size:50 mg
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CAS Number
1191911-26-8

Chemical Information

N-(2-(2-(2-Methoxy-4-morpholinophenylamino)-5-fluoropyrimidin-4-ylamino)phenyl)methanesulfonamide
CAS Number1191911-26-8
PubChem CID44252884
IUPAC NameN-[2-[[5-fluoro-2-(2-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
Molecular FormulaC22H25FN6O4S
Molecular Weight488.5
XLogP2.7
Topological Polar Surface Area126
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity737
SMILES
COC1=C(C=CC(=C1)N2CCOCC2)NC3=NC=C(C(=N3)NC4=CC=CC=C4NS(=O)(=O)C)F
InChI
InChI=1S/C22H25FN6O4S/c1-32-20-13-15(29-9-11-33-12-10-29)7-8-19(20)26-22-24-14-16(23)21(27-22)25-17-5-3-4-6-18(17)28-34(2,30)31/h3-8,13-14,28H,9-12H2,1-2H3,(H2,24,25,26,27)
InChIKey
XXHHOTZUJIXPJX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-(2-(2-Methoxy-4-morpholinophenylamino)-5-fluoropyrimidin-4-ylamino)phenyl)methanesulfonamide
CAS: 1191911-26-8
CID: 44252884
Formula: C22H25FN6O4S
MW: 488.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.5
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass488.16420264
Monoisotopic Mass488.16420264
Topological Polar Surface Area126 Ų
Heavy Atom Count34
Formal Charge0
Complexity737
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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