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ZINC00363158,AN-652/40913978, 4-chloro-N-(5,6-dimethyl-1,3-benzothiazo

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摘 要:ZINC00363158,AN-652/40913978, 4-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide,Canonical SMILES: CC1=CC2=C(C=C1C)SC(=N2)NC(=O)C3=CC=C(C=C3)Cl,InChI: InChI=1/C16H13ClN2OS/c1-9-7-13-14(8-10(9)2)21-16(18-13)19-15(20)11-3-5-,12(17)6-4-11/h3-8H,1-
[Synonyms]
ZINC00363158
AN-652/40913978

[Structure]
ZINC00363158,AN-652/40913978, 4-chloro-N-(5,6-dimethyl-1,3-benzothiazo

[ Properties Computed from Structure]
Molecular Weight316.80522 [g/mol]
Molecular FormulaC16H13ClN2OS
XLogP4.4
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count2
Tautomer Count3
Exact Mass316.043711
MonoIsotopic Mass316.043711
Topological Polar Surface Area42
Heavy Atom Count21
Formal Charge0
Complexity387
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: 4-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
Canonical SMILES: CC1=CC2=C(C=C1C)SC(=N2)NC(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1/C16H13ClN2OS/c1-9-7-13-14(8-10(9)2)21-16(18-13)19-15(20)11-3-5-
12(17)6-4-11/h3-8H,1-2H3,(H,18,19,20)/f/h19H

 
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