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942150-85-8 | ISOQUINOLINE, 2,2'-METHYLENEBIS[1,2,3,4-TETRAHYDRO-6-METHOXY-
CAS No: 942150-85-8 Catalog No: AG005SJO MDL No:
Product Description
Catalog Number:
AG005SJO
Chemical Name:
ISOQUINOLINE, 2,2'-METHYLENEBIS[1,2,3,4-TETRAHYDRO-6-METHOXY-
CAS Number:
942150-85-8
Molecular Formula:
C21H26N2O2
Molecular Weight:
338.4433
IUPAC Name:
6-methoxy-2-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C21H26N2O2/c1-24-20-5-3-18-13-22(9-7-16(18)11-20)15-23-10-8-17-12-21(25-2)6-4-19(17)14-23/h3-6,11-12H,7-10,13-15H2,1-2H3
InChI Key:
OEENWGJJSQGRID-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CCN(C2)CN1CCc2c(C1)ccc(c2)OC
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.199g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.451g/mol
Monoisotopic Mass:
338.199g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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