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565192-27-0 | 1,3-bis(1,2,3,4-tetrahydroisoquinolin-2-yl)propane-1,3-dione
CAS No: 565192-27-0 Catalog No: AG019GVO MDL No:MFCD03965286
Product Description
Catalog Number:
AG019GVO
Chemical Name:
1,3-bis(1,2,3,4-tetrahydroisoquinolin-2-yl)propane-1,3-dione
CAS Number:
565192-27-0
Molecular Formula:
C21H22N2O2
Molecular Weight:
334.4116
MDL Number:
MFCD03965286
IUPAC Name:
1,3-bis(3,4-dihydro-1H-isoquinolin-2-yl)propane-1,3-dione
InChI:
InChI=1S/C21H22N2O2/c24-20(22-11-9-16-5-1-3-7-18(16)14-22)13-21(25)23-12-10-17-6-2-4-8-19(17)15-23/h1-8H,9-15H2
InChI Key:
WADSRGWSNLQNNM-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)cccc2)CC(=O)N1CCc2c(C1)cccc2
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.168g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.419g/mol
Monoisotopic Mass:
334.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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