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ZINC00917371,BAS 03587392,2-(2-Methoxy-phenyl)-N-[4-(pyrimidin-2-ylsul

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摘 要:ZINC00917371,BAS 03587392,2-(2-Methoxy-phenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)-phenyl]-acetamide, 2-(2-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide,Canonical SMILES: COC1=CC=CC=C1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3,InChI: InChI=
[Synonyms]
ZINC00917371
BAS 03587392
2-(2-Methoxy-phenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)-phenyl]-acetamide

[Structure]
ZINC00917371,BAS 03587392,2-(2-Methoxy-phenyl)-N-[4-(pyrimidin-2-ylsul

[ Properties Computed from Structure]
Molecular Weight398.43562 [g/mol]
Molecular FormulaC19H18N4O4S
XLogP1.8
H-Bond Donor2
H-Bond Acceptor7
Rotatable Bond Count7
Tautomer Count4
Exact Mass398.104876
MonoIsotopic Mass398.104876
Topological Polar Surface Area110
Heavy Atom Count28
Formal Charge0
Complexity596
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-(2-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
Canonical SMILES: COC1=CC=CC=C1CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3
InChI: InChI=1/C19H18N4O4S/c1-27-17-6-3-2-5-14(17)13-18(24)22-15-7-9-16(10-8-
15)28(25,26)23-19-20-11-4-12-21-19/h2-12H,13H2,1H3,(H,22,24)(H,20,21,
23)/f/h22-23H

 
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