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BMS-903452

CAT: 0127-BUP15175-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP15175-02Size:10 mg
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CAS Number
1339944-47-6
Purity
=98%
Smiles
O=C1N(C=C(Cl)C(OC2CCN(CC2)C=3N=CC(Cl)=CN3)=C1)C4=C(F)C=C(S(C)(=O)=O)C=C4

Chemical Information

Bms-903452

BMS-903452 has been used in trials studying the treatment of Diabetes.

CAS Number1339944-47-6
PubChem CID53477157
IUPAC Name5-chloro-4-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-1-(2-fluoro-4-methylsulfonylphenyl)pyridin-2-one
Molecular FormulaC21H19Cl2FN4O4S
Molecular Weight513.4
XLogP2.9
Topological Polar Surface Area101
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity896
SMILES
CS(=O)(=O)C1=CC(=C(C=C1)N2C=C(C(=CC2=O)OC3CCN(CC3)C4=NC=C(C=N4)Cl)Cl)F
InChI
InChI=1S/C21H19Cl2FN4O4S/c1-33(30,31)15-2-3-18(17(24)8-15)28-12-16(23)19(9-20(28)29)32-14-4-6-27(7-5-14)21-25-10-13(22)11-26-21/h2-3,8-12,14H,4-7H2,1H3
InChIKey
OGIAVRWXUPYGGC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bms-903452
CAS: 1339944-47-6
CID: 53477157
Formula: C21H19Cl2FN4O4S
MW: 513.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight513.4
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass512.0488098
Monoisotopic Mass512.0488098
Topological Polar Surface Area101 Ų
Heavy Atom Count33
Formal Charge0
Complexity896
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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