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STK133900,ZINC00643371,BAS 08312128,AO-080/41816690,N-(2,4-Dichloro-ph

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摘 要:STK133900,ZINC00643371,BAS 08312128,AO-080/41816690,N-(2,4-Dichloro-phenyl)-2-(2-oxo-benzothiazol-3-yl)-acetamide, N-(2,4-dichlorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide,Canonical SMILES: C1=CC=C2C(=C1)N(C(=O)S2)CC(=O)NC3=C(C=C(C=C3)Cl)Cl,In
[Synonyms]
STK133900
ZINC00643371
BAS 08312128
AO-080/41816690
N-(2,4-Dichloro-phenyl)-2-(2-oxo-benzothiazol-3-yl)-acetamide

[Structure]
STK133900,ZINC00643371,BAS 08312128,AO-080/41816690,N-(2,4-Dichloro-ph

[ Properties Computed from Structure]
Molecular Weight353.2231 [g/mol]
Molecular FormulaC15H10Cl2N2O2S
XLogP3.3
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count3
Tautomer Count2
Exact Mass351.984004
MonoIsotopic Mass351.984004
Topological Polar Surface Area49.4
Heavy Atom Count22
Formal Charge0
Complexity451
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-(2,4-dichlorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
Canonical SMILES: C1=CC=C2C(=C1)N(C(=O)S2)CC(=O)NC3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1/C15H10Cl2N2O2S/c16-9-5-6-11(10(17)7-9)18-14(20)8-19-12-3-1-2-4-
13(12)22-15(19)21/h1-7H,8H2,(H,18,20)/f/h18H

 
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