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Home Other Building Blocks Isoquinoline, 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-1,2,3,4-tetrahydro-

Isoquinoline, 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-1,2,3,4-tetrahydro-

CAS No.:
21088-15-3
Catalog Number:
AG002L0N
Molecular Formula:
C24H33NO4
Molecular Weight:
399.5231
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Product Description
Catalog Number:
AG002L0N
Chemical Name:
Isoquinoline, 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-1,2,3,4-tetrahydro-
CAS Number:
21088-15-3
Molecular Formula:
C24H33NO4
Molecular Weight:
399.5231
MDL Number:
MFCD04610442
IUPAC Name:
1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C24H33NO4/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20/h9-10,14-16,20,25H,5-8,11-13H2,1-4H3
InChI Key:
VQAZFFDEYWLNPR-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1OCC)CC1NCCc2c1cc(OCC)c(c2)OCC
Properties
Complexity:
462  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.241g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
399.531g/mol
Monoisotopic Mass:
399.241g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Literature
Title Journal
Assay principle for modulators of protein-protein interactions and its application to non-ATP-competitive ligands targeting protein kinase A. Analytical chemistry 20061215
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties