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20412-86-6 | Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-1,2,3,4-tetrahydro-6,7-dimethoxy-
CAS No: 20412-86-6 Catalog No: AG0029AN MDL No:
Product Description
Catalog Number:
AG0029AN
Chemical Name:
Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-1,2,3,4-tetrahydro-6,7-dimethoxy-
CAS Number:
20412-86-6
Molecular Formula:
C22H29NO4
Molecular Weight:
371.4700
IUPAC Name:
1-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C22H29NO4/c1-6-23-10-9-16-13-21(26-4)22(27-5)14-17(16)18(23)11-15-7-8-19(24-2)20(12-15)25-3/h7-8,12-14,18H,6,9-11H2,1-5H3
InChI Key:
LEMXXRFPPUUCQG-UHFFFAOYSA-N
SMILES:
CCN1CCc2c(C1Cc1ccc(c(c1)OC)OC)cc(c(c2)OC)OC
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.21g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.477g/mol
Monoisotopic Mass:
371.21g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
40.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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