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Home > Indoles and Oxindole > 696626-50-3
696626-50-3 | 1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-5-methyl-1H-indole-2,3-dione
CAS No: 696626-50-3 Catalog No: AG00JHIU MDL No:MFCD05855170
Product Description
Catalog Number:
AG00JHIU
Chemical Name:
1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-5-methyl-1H-indole-2,3-dione
CAS Number:
696626-50-3
Molecular Formula:
C20H18N2O3
Molecular Weight:
334.3685
MDL Number:
MFCD05855170
IUPAC Name:
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methylindole-2,3-dione
InChI:
InChI=1S/C20H18N2O3/c1-13-6-7-17-16(10-13)19(24)20(25)22(17)12-18(23)21-9-8-14-4-2-3-5-15(14)11-21/h2-7,10H,8-9,11-12H2,1H3
InChI Key:
OUQNIDQGKUMJGK-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)C(=O)C(=O)N2CC(=O)N1CCc2c(C1)cccc2
Properties
Complexity:
575
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.132g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.375g/mol
Monoisotopic Mass:
334.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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