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365542-48-9 | 1-[2-[4-[5-[2-(4-hydroxy-1-isoquinolyl)ethyl]-2-methoxy-phenoxy]phenyl]ethyl]isoquinolin-4-ol
CAS No: 365542-48-9 Catalog No: AG00JS4H MDL No:MFCD12546765
Product Description
Catalog Number:
AG00JS4H
Chemical Name:
1-[2-[4-[5-[2-(4-hydroxy-1-isoquinolyl)ethyl]-2-methoxy-phenoxy]phenyl]ethyl]isoquinolin-4-ol
CAS Number:
365542-48-9
Molecular Formula:
C35H30N2O4
Molecular Weight:
542.6237
MDL Number:
MFCD12546765
IUPAC Name:
1-[2-[4-[5-[2-(4-hydroxyisoquinolin-1-yl)ethyl]-2-methoxyphenoxy]phenyl]ethyl]isoquinolin-4-ol
InChI:
InChI=1S/C35H30N2O4/c1-40-34-19-14-24(13-18-31-27-7-3-5-9-29(27)33(39)22-37-31)20-35(34)41-25-15-10-23(11-16-25)12-17-30-26-6-2-4-8-28(26)32(38)21-36-30/h2-11,14-16,19-22,38-39H,12-13,17-18H2,1H3
InChI Key:
AQBCKWLWFXXHTO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1Oc1ccc(cc1)CCc1ncc(c2c1cccc2)O)CCc1ncc(c2c1cccc2)O
Properties
Complexity:
790
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
542.221g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
542.635g/mol
Monoisotopic Mass:
542.221g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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