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STK025335,ZINC00917572,BAS 03588712,4-Phenyl-N-[4-(pyrimidin-2-ylsulfa

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摘 要:STK025335,ZINC00917572,BAS 03588712,4-Phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)-phenyl]-butyramide, 4-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide,Canonical SMILES: C1=CC=C(C=C1)CCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3,InChI: InChI=1/C20H20N
[Synonyms]
STK025335
ZINC00917572
BAS 03588712
4-Phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)-phenyl]-butyramide

[Structure]
STK025335,ZINC00917572,BAS 03588712,4-Phenyl-N-[4-(pyrimidin-2-ylsulfa

[ Properties Computed from Structure]
Molecular Weight396.4628 [g/mol]
Molecular FormulaC20H20N4O3S
XLogP2.7
H-Bond Donor2
H-Bond Acceptor6
Rotatable Bond Count8
Tautomer Count4
Exact Mass396.125611
MonoIsotopic Mass396.125611
Topological Polar Surface Area101
Heavy Atom Count28
Formal Charge0
Complexity573
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-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
Canonical SMILES: C1=CC=C(C=C1)CCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3
InChI: InChI=1/C20H20N4O3S/c25-19(9-4-8-16-6-2-1-3-7-16)23-17-10-12-18(13-11-
17)28(26,27)24-20-21-14-5-15-22-20/h1-3,5-7,10-15H,4,8-9H2,(H,23,25)(H,
21,22,24)/f/h23-24H

 
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