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143526-87-8 | 3-Isoquinolinemethanol,1-(3,5-dimethoxyphenyl)-3,4-dihydro-6,7-dimethoxy-, (3S)-
CAS No: 143526-87-8 Catalog No: AG007YSW MDL No:
Product Description
Catalog Number:
AG007YSW
Chemical Name:
3-Isoquinolinemethanol,1-(3,5-dimethoxyphenyl)-3,4-dihydro-6,7-dimethoxy-, (3S)-
CAS Number:
143526-87-8
Molecular Formula:
C20H23NO5
Molecular Weight:
357.4003
IUPAC Name:
[(3S)-1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol
InChI:
InChI=1S/C20H23NO5/c1-23-15-6-13(7-16(9-15)24-2)20-17-10-19(26-4)18(25-3)8-12(17)5-14(11-22)21-20/h6-10,14,22H,5,11H2,1-4H3/t14-/m0/s1
InChI Key:
GHBUMWHHZFGRDI-AWEZNQCLSA-N
SMILES:
OC[C@@H]1Cc2cc(OC)c(cc2C(=N1)c1cc(OC)cc(c1)OC)OC
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
357.158g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.406g/mol
Monoisotopic Mass:
357.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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