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65700-38-1 | Isoquinoline,1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-propyl-
CAS No: 65700-38-1 Catalog No: AG006POZ MDL No:
Product Description
Catalog Number:
AG006POZ
Chemical Name:
Isoquinoline,1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-propyl-
CAS Number:
65700-38-1
Molecular Formula:
C23H31NO4
Molecular Weight:
385.4965
IUPAC Name:
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-propyl-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C23H31NO4/c1-6-10-24-11-9-17-14-22(27-4)23(28-5)15-18(17)19(24)12-16-7-8-20(25-2)21(13-16)26-3/h7-8,13-15,19H,6,9-12H2,1-5H3
InChI Key:
HXVWWPSVYMTSQW-UHFFFAOYSA-N
SMILES:
CCCN1CCc2c(C1Cc1ccc(c(c1)OC)OC)cc(c(c2)OC)OC
NSC Number:
127488
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.225g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.504g/mol
Monoisotopic Mass:
385.225g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
40.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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