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20232-49-9 | Isoquinoline, 3-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-
CAS No: 20232-49-9 Catalog No: AG002863 MDL No:
Product Description
Catalog Number:
AG002863
Chemical Name:
Isoquinoline, 3-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-
CAS Number:
20232-49-9
Molecular Formula:
C20H23NO4
Molecular Weight:
341.4009
IUPAC Name:
3-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
InChI:
InChI=1S/C20H23NO4/c1-22-17-6-5-13(8-18(17)23-2)7-16-9-14-10-19(24-3)20(25-4)11-15(14)12-21-16/h5-6,8,10-12,16H,7,9H2,1-4H3
InChI Key:
DJBQMOKXDOEAAA-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)CC1N=Cc2c(C1)cc(c(c2)OC)OC
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.163g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.407g/mol
Monoisotopic Mass:
341.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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