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ZINC00936129 4-bromo-N-[3-(8-methylimidazo[1,,2-a]pyridin-2-yl)phenyl]

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摘 要:ZINC00936129 4-bromo-N-[3-(8-methylimidazo[1,,2-a]pyridin-2-yl)phenyl]benzenesulfonamide,Canonical SMILES: CC1=CC=CN2C1=NC(=C2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)Br,InChI: InChI=1/C20H16BrN3O2S/c1-14-4-3-11-24-13-19(22-20(14)24)15-5-2-6-17(12-,15)23
[Synonyms]
ZINC00936129
[Structure]
ZINC00936129 4-bromo-N-[3-(8-methylimidazo[1,,2-a]pyridin-2-yl)phenyl]

[ Properties Computed from Structure]
Molecular Weight442.32894 [g/mol]
Molecular FormulaC20H16BrN3O2S
XLogP2.6
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count4
Exact Mass441.01466
MonoIsotopic Mass441.01466
Topological Polar Surface Area63.5
Heavy Atom Count27
Formal Charge0
Complexity603
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-bromo-N-[3-(8-methylimidazo[1,
2-a]pyridin-2-yl)phenyl]benzenesulfonamide
Canonical SMILES: CC1=CC=CN2C1=NC(=C2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)Br
InChI: InChI=1/C20H16BrN3O2S/c1-14-4-3-11-24-13-19(22-20(14)24)15-5-2-6-17(12-
15)23-27(25,26)18-9-7-16(21)8-10-18/h2-13,23H,1H3

 
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