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Home > Pyridines > 339103-19-4
339103-19-4 | 4-methoxy-2-{2-[(1E)-{[(3-methoxyphenyl)methoxy]imino}methyl]-1H-pyrrol-1-yl}pyridine-3-carbonitrile
CAS No: 339103-19-4 Catalog No: AG00IR0D MDL No:MFCD00975497
Product Description
Catalog Number:
AG00IR0D
Chemical Name:
4-methoxy-2-{2-[(1E)-{[(3-methoxyphenyl)methoxy]imino}methyl]-1H-pyrrol-1-yl}pyridine-3-carbonitrile
CAS Number:
339103-19-4
Molecular Formula:
C20H18N4O3
Molecular Weight:
362.3819
MDL Number:
MFCD00975497
IUPAC Name:
4-methoxy-2-[2-[(E)-(3-methoxyphenyl)methoxyiminomethyl]pyrrol-1-yl]pyridine-3-carbonitrile
InChI:
InChI=1S/C20H18N4O3/c1-25-17-7-3-5-15(11-17)14-27-23-13-16-6-4-10-24(16)20-18(12-21)19(26-2)8-9-22-20/h3-11,13H,14H2,1-2H3/b23-13+
InChI Key:
VUUFIHVJPQHGNJ-YDZHTSKRSA-N
SMILES:
COc1cccc(c1)CO/N=C/c1cccn1c1nccc(c1C#N)OC
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
362.138g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.389g/mol
Monoisotopic Mass:
362.138g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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