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ZINC00918757,A2218/0093403,Oxazol-5(4H)-one, 2-(4-bromophenyl)-4-(4-di

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摘 要:ZINC00918757,A2218/0093403,Oxazol-5(4H)-one, 2-(4-bromophenyl)-4-(4-dimethylaminobenzylidene)-,(4E)-2-(4-Bromophenyl)-4-[4-(dimethylamino)benzylidene]-1,3-oxazol-5(4H)-one, (4E)-2-(4-bromophenyl)-4-[(4-dimethylaminophenyl)methylidene]-1,,3-oxazol-5-o
[Synonyms]
ZINC00918757
A2218/0093403
Oxazol-5(4H)-one, 2-(4-bromophenyl)-4-(4-dimethylaminobenzylidene)-
(4E)-2-(4-Bromophenyl)-4-[4-(dimethylamino)benzylidene]-1,3-oxazol-5(4H)-one

[Structure]
ZINC00918757,A2218/0093403,Oxazol-5(4H)-one, 2-(4-bromophenyl)-4-(4-di

[ Properties Computed from Structure]
Molecular Weight371.2279 [g/mol]
Molecular FormulaC18H15BrN2O2
XLogP4.8
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count3
Exact Mass370.03169
MonoIsotopic Mass370.03169
Topological Polar Surface Area41.9
Heavy Atom Count23
Formal Charge0
Complexity499
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count1
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (4E)-2-(4-bromophenyl)-4-[(4-dimethylaminophenyl)methylidene]-1,
3-oxazol-5-one
Canonical SMILES: CN(C)C1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=C(C=C3)Br
Isomeric SMILES: CN(C)C1=CC=C(C=C1)\C=C\2/C(=O)OC(=N2)C3=CC=C(C=C3)Br
InChI: InChI=1/C18H15BrN2O2/c1-21(2)15-9-3-12(4-10-15)11-16-18(22)23-17(20-16)
13-5-7-14(19)8-6-13/h3-11H,1-2H3/b16-11+

 
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