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Home > Imidazoles > 78311-94-1
78311-94-1 | 4H-Imidazol-4-one,5-[(3,4-dimethoxyphenyl)methylene]-3,5-dihydro-3-(2-methoxy-4-nitrophenyl)-2-methyl-
CAS No: 78311-94-1 Catalog No: AG005C04 MDL No:
Product Description
Catalog Number:
AG005C04
Chemical Name:
4H-Imidazol-4-one,5-[(3,4-dimethoxyphenyl)methylene]-3,5-dihydro-3-(2-methoxy-4-nitrophenyl)-2-methyl-
CAS Number:
78311-94-1
Molecular Formula:
C20H19N3O6
Molecular Weight:
397.3814
IUPAC Name:
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(2-methoxy-4-nitrophenyl)-2-methylimidazol-4-one
InChI:
InChI=1S/C20H19N3O6/c1-12-21-15(9-13-5-8-17(27-2)19(10-13)29-4)20(24)22(12)16-7-6-14(23(25)26)11-18(16)28-3/h5-11H,1-4H3/b15-9-
InChI Key:
UFOQYZUERUNHCW-DHDCSXOGSA-N
SMILES:
COc1cc(ccc1N1C(=N/C(=C\c2ccc(c(c2)OC)OC)/C1=O)C)[N+](=O)[O-]
Properties
Complexity:
688
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
397.127g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.387g/mol
Monoisotopic Mass:
397.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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