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MLS001210895,ZINC00879580,BAS 02052723,SMR000517252,AK-968/12572165,2,

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摘 要:MLS001210895,ZINC00879580,BAS 02052723,SMR000517252,AK-968/12572165,2,6-Dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)-phenyl]-benzamide,A2433/0103101, 2,6-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide,Canonical SMILES: COC1=C(C(=CC=C1)OC)C(=O)N
[Synonyms]
MLS001210895
ZINC00879580
BAS 02052723
SMR000517252
AK-968/12572165
2,6-Dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)-phenyl]-benzamide
A2433/0103101

[Structure]
MLS001210895,ZINC00879580,BAS 02052723,SMR000517252,AK-968/12572165,2,

[ Properties Computed from Structure]
Molecular Weight414.43502 [g/mol]
Molecular FormulaC19H18N4O5S
XLogP2
H-Bond Donor2
H-Bond Acceptor8
Rotatable Bond Count7
Tautomer Count4
Exact Mass414.09979
MonoIsotopic Mass414.09979
Topological Polar Surface Area120
Heavy Atom Count29
Formal Charge0
Complexity615
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-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
Canonical SMILES: COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3
InChI: InChI=1/C19H18N4O5S/c1-27-15-5-3-6-16(28-2)17(15)18(24)22-13-7-9-14(10-
8-13)29(25,26)23-19-20-11-4-12-21-19/h3-12H,1-2H3,(H,22,24)(H,20,21,
23)/f/h22-23H

 
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