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ZINC00938258 N-(furan-2-ylmethyl)-3-oxo-5,6-di(phenyl)-2H-pyridazine-4

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摘 要:ZINC00938258 N-(furan-2-ylmethyl)-3-oxo-5,6-di(phenyl)-2H-pyridazine-4-carboxamide,Canonical SMILES: C1=CC=C(C=C1)C2=C(C(=O)NN=C2C3=CC=CC=C3)C(=O)NCC4=CC=CO4,InChI: InChI=1/C22H17N3O3/c26-21(23-14-17-12-7-13-28-17)19-18(15-8-3-1-4-9-15),20(24-25-22(1
[Synonyms]
ZINC00938258
[Structure]
ZINC00938258 N-(furan-2-ylmethyl)-3-oxo-5,6-di(phenyl)-2H-pyridazine-4

[ Properties Computed from Structure]
Molecular Weight371.38868 [g/mol]
Molecular FormulaC22H17N3O3
XLogP4.2
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count5
Tautomer Count5
Exact Mass371.126991
MonoIsotopic Mass371.126991
Topological Polar Surface Area83.7
Heavy Atom Count28
Formal Charge0
Complexity658
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: N-(furan-2-ylmethyl)-3-oxo-5,6-di(phenyl)-2H-pyridazine-4-carboxamide
Canonical SMILES: C1=CC=C(C=C1)C2=C(C(=O)NN=C2C3=CC=CC=C3)C(=O)NCC4=CC=CO4
InChI: InChI=1/C22H17N3O3/c26-21(23-14-17-12-7-13-28-17)19-18(15-8-3-1-4-9-15)
20(24-25-22(19)27)16-10-5-2-6-11-16/h1-13H,14H2,(H,23,26)(H,25,
27)/f/h23,25H

 
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