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ZINC03222476,T0511-2406, 2-[(5-chloro-1,,3-benzothiazol-2-yl)sulfanyl]

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摘 要:ZINC03222476,T0511-2406, 2-[(5-chloro-1,,3-benzothiazol-2-yl)sulfanyl]-1-(5-chlorothiophen-2-yl)ethanone,Canonical SMILES: C1=CC2=C(C=C1Cl)N=C(S2)SCC(=O)C3=CC=C(S3)Cl,InChI: InChI=1/C13H7Cl2NOS3/c14-7-1-2-10-8(5-7)16-13(20-10)18-6-9(17)11-3-4-12,(15)
[Synonyms]
ZINC03222476
T0511-2406

[Structure]
ZINC03222476,T0511-2406, 2-[(5-chloro-1,,3-benzothiazol-2-yl)sulfanyl]

[ Properties Computed from Structure]
Molecular Weight360.30178 [g/mol]
Molecular FormulaC13H7Cl2NOS3
XLogP3.3
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count4
Tautomer Count2
Exact Mass358.906681
MonoIsotopic Mass358.906681
Topological Polar Surface Area30
Heavy Atom Count20
Formal Charge0
Complexity374
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: 2-[(5-chloro-1,
3-benzothiazol-2-yl)sulfanyl]-1-(5-chlorothiophen-2-yl)ethanone
Canonical SMILES: C1=CC2=C(C=C1Cl)N=C(S2)SCC(=O)C3=CC=C(S3)Cl
InChI: InChI=1/C13H7Cl2NOS3/c14-7-1-2-10-8(5-7)16-13(20-10)18-6-9(17)11-3-4-12
(15)19-11/h1-5H,6H2

 
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