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125175-65-7 | Isoquinoline, 1-[3,5-bis(2-methoxyethoxy)phenyl]-6,7-dimethoxy-3-methyl-
CAS No: 125175-65-7 Catalog No: AG000NAQ MDL No:
Product Description
Catalog Number:
AG000NAQ
Chemical Name:
Isoquinoline, 1-[3,5-bis(2-methoxyethoxy)phenyl]-6,7-dimethoxy-3-methyl-
CAS Number:
125175-65-7
Molecular Formula:
C24H29NO6
Molecular Weight:
427.4902
IUPAC Name:
1-[3,5-bis(2-methoxyethoxy)phenyl]-6,7-dimethoxy-3-methylisoquinoline
InChI:
InChI=1S/C24H29NO6/c1-16-10-17-13-22(28-4)23(29-5)15-21(17)24(25-16)18-11-19(30-8-6-26-2)14-20(12-18)31-9-7-27-3/h10-15H,6-9H2,1-5H3
InChI Key:
MJAIGHGDMDYBHJ-UHFFFAOYSA-N
SMILES:
COCCOc1cc(OCCOC)cc(c1)c1nc(C)cc2c1cc(OC)c(c2)OC
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.199g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
427.497g/mol
Monoisotopic Mass:
427.199g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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