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55854-53-0 | 6,7-Dimethoxyisoquinolin-1-yl 3,4-dimethoxyphenyl ketone O-[4-[3,4-(methylenedioxy)benzyl]-1-piperazinylcarbonylmethyl]oxime
CAS No: 55854-53-0 Catalog No: AG00DUOZ MDL No:
Product Description
Catalog Number:
AG00DUOZ
Chemical Name:
6,7-Dimethoxyisoquinolin-1-yl 3,4-dimethoxyphenyl ketone O-[4-[3,4-(methylenedioxy)benzyl]-1-piperazinylcarbonylmethyl]oxime
CAS Number:
55854-53-0
IUPAC Name:
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(Z)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino]oxyethanone
InChI:
InChI=1S/C34H36N4O8/c1-40-26-8-6-24(17-28(26)41-2)33(34-25-18-30(43-4)29(42-3)16-23(25)9-10-35-34)36-46-20-32(39)38-13-11-37(12-14-38)19-22-5-7-27-31(15-22)45-21-44-27/h5-10,15-18H,11-14,19-21H2,1-4H3/b36-33-
InChI Key:
LCDQSFPOGTZITA-NECWGFRUSA-N
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
628.253g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
628.682g/mol
Monoisotopic Mass:
628.253g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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