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STOCK3S-82265,ZINC00521373, N-(5-chloropyridin-2-yl)thieno[4,5-b][1]be

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摘 要:STOCK3S-82265,ZINC00521373, N-(5-chloropyridin-2-yl)thieno[4,5-b][1]benzothiole-2-carboxamide,Canonical SMILES: C1=CC=C2C(=C1)C3=C(S2)C=C(S3)C(=O)NC4=NC=C(C=C4)Cl,InChI: InChI=1/C16H9ClN2OS2/c17-9-5-6-14(18-8-9)19-16(20)13-7-12-15(22-13)10-3-,1-2-4-1
[Synonyms]
STOCK3S-82265
ZINC00521373

[Structure]
STOCK3S-82265,ZINC00521373, N-(5-chloropyridin-2-yl)thieno[4,5-b][1]be

[ Properties Computed from Structure]
Molecular Weight344.83846 [g/mol]
Molecular FormulaC16H9ClN2OS2
XLogP3.7
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count2
Tautomer Count3
Exact Mass343.984482
MonoIsotopic Mass343.984482
Topological Polar Surface Area42
Heavy Atom Count22
Formal Charge0
Complexity438
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-(5-chloropyridin-2-yl)thieno[4,5-b][1]benzothiole-2-carboxamide
Canonical SMILES: C1=CC=C2C(=C1)C3=C(S2)C=C(S3)C(=O)NC4=NC=C(C=C4)Cl
InChI: InChI=1/C16H9ClN2OS2/c17-9-5-6-14(18-8-9)19-16(20)13-7-12-15(22-13)10-3-
1-2-4-11(10)21-12/h1-8H,(H,18,19,20)/f/h19H

 
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