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STK043335,ZINC00917264,BAS 03586279,EU-0081917,2,6-Dimethoxy-N-[4-(thi

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摘 要:STK043335,ZINC00917264,BAS 03586279,EU-0081917,2,6-Dimethoxy-N-[4-(thiazol-2-ylsulfamoyl)-phenyl]-benzamide, 2,6-dimethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide,Canonical SMILES: COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3,In
[Synonyms]
STK043335
ZINC00917264
BAS 03586279
EU-0081917
2,6-Dimethoxy-N-[4-(thiazol-2-ylsulfamoyl)-phenyl]-benzamide

[Structure]
STK043335,ZINC00917264,BAS 03586279,EU-0081917,2,6-Dimethoxy-N-[4-(thi

[ Properties Computed from Structure]
Molecular Weight419.47468 [g/mol]
Molecular FormulaC18H17N3O5S2
XLogP2.1
H-Bond Donor2
H-Bond Acceptor7
Rotatable Bond Count7
Tautomer Count4
Exact Mass419.060962
MonoIsotopic Mass419.060962
Topological Polar Surface Area107
Heavy Atom Count28
Formal Charge0
Complexity607
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: 2,6-dimethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
Canonical SMILES: COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3
InChI: InChI=1/C18H17N3O5S2/c1-25-14-4-3-5-15(26-2)16(14)17(22)20-12-6-8-13(9-
7-12)28(23,24)21-18-19-10-11-27-18/h3-11H,1-2H3,(H,19,21)(H,20,
22)/f/h20-21H

 
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