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4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(pyridin-3-ylmethyl)benzamide,

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摘 要: 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(pyridin-3-ylmethyl)benzamide,Canonical SMILES: C1=CC(=CN=C1)CNC(=O)C2=CC=C(C=C2)N3C(=O)C(=C(C=N3)Cl)Cl,InChI: InChI=1/C17H12Cl2N4O2/c18-14-10-22-23(17(25)15(14)19)13-5-3-12(4-6-13)16,(24)21-9-11-2-1-7-20-8-11/
[Synonyms]

[Structure]
 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(pyridin-3-ylmethyl)benzamide,

[ Properties Computed from Structure]
Molecular Weight375.20878 [g/mol]
Molecular FormulaC17H12Cl2N4O2
XLogP2.7
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count4
Tautomer Count2
Exact Mass374.033731
MonoIsotopic Mass374.033731
Topological Polar Surface Area74.7
Heavy Atom Count25
Formal Charge0
Complexity585
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-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(pyridin-3-ylmethyl)benzamide
Canonical SMILES: C1=CC(=CN=C1)CNC(=O)C2=CC=C(C=C2)N3C(=O)C(=C(C=N3)Cl)Cl
InChI: InChI=1/C17H12Cl2N4O2/c18-14-10-22-23(17(25)15(14)19)13-5-3-12(4-6-13)16
(24)21-9-11-2-1-7-20-8-11/h1-8,10H,9H2,(H,21,24)/f/h21H

 
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