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FDI-6 25mg

CAT: 0628-A19514-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A19514-25Size:25 mg
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CAS Number
313380-27-7

Chemical Information

3-Amino-N-(4-fluorophenyl)-6-(2-thienyl)-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide
CAS Number313380-27-7
PubChem CID5175738
IUPAC Name3-amino-N-(4-fluorophenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Molecular FormulaC19H11F4N3OS2
Molecular Weight437.4
XLogP5.6
Topological Polar Surface Area124
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity602
SMILES
C1=CSC(=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C(=O)NC4=CC=C(C=C4)F)N
InChI
InChI=1S/C19H11F4N3OS2/c20-9-3-5-10(6-4-9)25-17(27)16-15(24)14-11(19(21,22)23)8-12(26-18(14)29-16)13-2-1-7-28-13/h1-8H,24H2,(H,25,27)
InChIKey
ZATJMMZPGVDUOM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Amino-N-(4-fluorophenyl)-6-(2-thienyl)-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide
CAS: 313380-27-7
CID: 5175738
Formula: C19H11F4N3OS2
MW: 437.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.4
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass437.02796698
Monoisotopic Mass437.02796698
Topological Polar Surface Area124 Ų
Heavy Atom Count29
Formal Charge0
Complexity602
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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