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MGCD 265

CAT: 0926-FF41064-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FF41064-01Size:10 mg
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CAS Number
875337-44-3
Synonyms
N-[ (3-Fluoro-4-{[2- (1-methyl-1H-imidazol-4-yl) thieno[3,2-b]pyridin-7-yl]oxy}phenyl) carbamothioyl]-2-phenylacetamide
MDL Number
MFCD17779287
Smiles
CN1C=C (N=C1) C2=CC3=NC=CC (=C3S2) OC4=C (C=C (C=C4) NC (=S) NC (=O) CC5=CC=CC=C5) F
Molecular Formula
C26H20FN5O2S2
Molecular Weight
517.60 g/mol
Controlled
No

Chemical Information

N-(3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamide

N-[[3-fluoro-4-[[2-(1-methyl-4-imidazolyl)-7-thieno[3,2-b]pyridinyl]oxy]anilino]-sulfanylidenemethyl]-2-phenylacetamide is a member of thioureas.

CAS Number875337-44-3
PubChem CID24901704
IUPAC NameN-[[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl]-2-phenylacetamide
Molecular FormulaC26H20FN5O2S2
Molecular Weight517.6
XLogP4.9
Topological Polar Surface Area141
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity773
SMILES
CN1C=C(N=C1)C2=CC3=NC=CC(=C3S2)OC4=C(C=C(C=C4)NC(=S)NC(=O)CC5=CC=CC=C5)F
InChI
InChI=1S/C26H20FN5O2S2/c1-32-14-20(29-15-32)23-13-19-25(36-23)22(9-10-28-19)34-21-8-7-17(12-18(21)27)30-26(35)31-24(33)11-16-5-3-2-4-6-16/h2-10,12-15H,11H2,1H3,(H2,30,31,33,35)
InChIKey
UFICVEHDQUKCEA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-b]pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamide
CAS: 875337-44-3
CID: 24901704
Formula: C26H20FN5O2S2
MW: 517.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight517.6
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass517.10424541
Monoisotopic Mass517.10424541
Topological Polar Surface Area141 Ų
Heavy Atom Count36
Formal Charge0
Complexity773
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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