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Home > Indoles and Oxindole > 696626-43-4
696626-43-4 | 1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1H-indole-2,3-dione
CAS No: 696626-43-4 Catalog No: AG00JHJI MDL No:MFCD05855169
Product Description
Catalog Number:
AG00JHJI
Chemical Name:
1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1H-indole-2,3-dione
CAS Number:
696626-43-4
Molecular Formula:
C19H16N2O3
Molecular Weight:
320.3419
MDL Number:
MFCD05855169
IUPAC Name:
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-2,3-dione
InChI:
InChI=1S/C19H16N2O3/c22-17(20-10-9-13-5-1-2-6-14(13)11-20)12-21-16-8-4-3-7-15(16)18(23)19(21)24/h1-8H,9-12H2
InChI Key:
DJZOGPBLSUIJPY-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)cccc2)CN1c2ccccc2C(=O)C1=O
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.116g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.348g/mol
Monoisotopic Mass:
320.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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