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Oprea1_364853,ZINC01516421, N-(4-bromophenyl)-3-methoxynaphthalene-2-c

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摘 要:Oprea1_364853,ZINC01516421, N-(4-bromophenyl)-3-methoxynaphthalene-2-carboxamide,Canonical SMILES: COC1=CC2=CC=CC=C2C=C1C(=O)NC3=CC=C(C=C3)Br,InChI: InChI=1/C18H14BrNO2/c1-22-17-11-13-5-3-2-4-12(13)10-16(17)18(21)20-15-8-,6-14(19)7-9-15/h2-11H,1H3,(H
[Synonyms]
Oprea1_364853
ZINC01516421

[Structure]
Oprea1_364853,ZINC01516421, N-(4-bromophenyl)-3-methoxynaphthalene-2-c

[ Properties Computed from Structure]
Molecular Weight356.21326 [g/mol]
Molecular FormulaC18H14BrNO2
XLogP5
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count3
Tautomer Count2
Exact Mass355.020791
MonoIsotopic Mass355.020791
Topological Polar Surface Area38.3
Heavy Atom Count22
Formal Charge0
Complexity381
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-(4-bromophenyl)-3-methoxynaphthalene-2-carboxamide
Canonical SMILES: COC1=CC2=CC=CC=C2C=C1C(=O)NC3=CC=C(C=C3)Br
InChI: InChI=1/C18H14BrNO2/c1-22-17-11-13-5-3-2-4-12(13)10-16(17)18(21)20-15-8-
6-14(19)7-9-15/h2-11H,1H3,(H,20,21)/f/h20H

 
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