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78478-27-0 | 5,6,7-TRIMETHOXY-1-((4-METHOXYPHENYL)METHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
CAS No: 78478-27-0 Catalog No: AG005A3H MDL No:
Product Description
Catalog Number:
AG005A3H
Chemical Name:
5,6,7-TRIMETHOXY-1-((4-METHOXYPHENYL)METHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
CAS Number:
78478-27-0
Molecular Formula:
C20H25NO4
Molecular Weight:
343.4168
IUPAC Name:
5,6,7-trimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C20H25NO4/c1-22-14-7-5-13(6-8-14)11-17-16-12-18(23-2)20(25-4)19(24-3)15(16)9-10-21-17/h5-8,12,17,21H,9-11H2,1-4H3
InChI Key:
CMQSBRRTRZPLHE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CC1NCCc2c1cc(OC)c(c2OC)OC
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.178g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.423g/mol
Monoisotopic Mass:
343.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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