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191536-06-8 | Isoquinoline, 2-butyl-1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-
CAS No: 191536-06-8 Catalog No: AG002FBL MDL No:
Product Description
Catalog Number:
AG002FBL
Chemical Name:
Isoquinoline, 2-butyl-1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-
CAS Number:
191536-06-8
Molecular Formula:
C24H33NO4
Molecular Weight:
399.5231
IUPAC Name:
2-butyl-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C24H33NO4/c1-6-7-11-25-12-10-18-15-23(28-4)24(29-5)16-19(18)20(25)13-17-8-9-21(26-2)22(14-17)27-3/h8-9,14-16,20H,6-7,10-13H2,1-5H3
InChI Key:
IMRZHOOIGVJSKV-UHFFFAOYSA-N
SMILES:
CCCCN1CCc2c(C1Cc1ccc(c(c1)OC)OC)cc(c(c2)OC)OC
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.241g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.531g/mol
Monoisotopic Mass:
399.241g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
40.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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