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2129-59-1 | 1-[1-(3,4-dimethoxybenzylidene)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1h)-yl]ethanone
CAS No: 2129-59-1 Catalog No: AG007QUV MDL No:
Product Description
Catalog Number:
AG007QUV
Chemical Name:
1-[1-(3,4-dimethoxybenzylidene)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1h)-yl]ethanone
CAS Number:
2129-59-1
Molecular Formula:
C22H25NO5
Molecular Weight:
383.4376
IUPAC Name:
1-[1-[(3,4-dimethoxyphenyl)methylidene]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-yl]ethanone
InChI:
InChI=1S/C22H25NO5/c1-14(24)23-9-8-16-12-21(27-4)22(28-5)13-17(16)18(23)10-15-6-7-19(25-2)20(11-15)26-3/h6-7,10-13H,8-9H2,1-5H3
InChI Key:
UKWPGQNUELVLGE-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C=C1N(CCc2c1cc(OC)c(c2)OC)C(=O)C
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.173g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.444g/mol
Monoisotopic Mass:
383.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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