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83633-14-1 | 2-Propenamide, N-[4-(6,7-dimethoxy-1-isoquinolinyl)phenyl]-
CAS No: 83633-14-1 Catalog No: AG0056VL MDL No:
Product Description
Catalog Number:
AG0056VL
Chemical Name:
2-Propenamide, N-[4-(6,7-dimethoxy-1-isoquinolinyl)phenyl]-
CAS Number:
83633-14-1
Molecular Formula:
C20H18N2O3
Molecular Weight:
334.3685
IUPAC Name:
N-[4-(6,7-dimethoxyisoquinolin-1-yl)phenyl]prop-2-enamide
InChI:
InChI=1S/C20H18N2O3/c1-4-19(23)22-15-7-5-13(6-8-15)20-16-12-18(25-3)17(24-2)11-14(16)9-10-21-20/h4-12H,1H2,2-3H3,(H,22,23)
InChI Key:
LPPZSTSNMZJAER-UHFFFAOYSA-N
SMILES:
C=CC(=O)Nc1ccc(cc1)c1nccc2c1cc(OC)c(c2)OC
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.132g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.375g/mol
Monoisotopic Mass:
334.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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