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GSK-3787 25mg

CAT: 0628-A12391-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A12391-25Size:25 mg
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CAS Number
188591-46-0

Chemical Information

Gsk3787
CAS Number188591-46-0
PubChem CID2800647
IUPAC Name4-chloro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide
Molecular FormulaC15H12ClF3N2O3S
Molecular Weight392.8
XLogP2.9
Topological Polar Surface Area84.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity557
SMILES
C1=CC(=CC=C1C(=O)NCCS(=O)(=O)C2=NC=C(C=C2)C(F)(F)F)Cl
InChI
InChI=1S/C15H12ClF3N2O3S/c16-12-4-1-10(2-5-12)14(22)20-7-8-25(23,24)13-6-3-11(9-21-13)15(17,18)19/h1-6,9H,7-8H2,(H,20,22)
InChIKey
JFUIMTGOQCQTPF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gsk3787
CAS: 188591-46-0
CID: 2800647
Formula: C15H12ClF3N2O3S
MW: 392.8
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight392.8
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass392.0209256
Monoisotopic Mass392.0209256
Topological Polar Surface Area84.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity557
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