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827320-71-8 | Isoquinoline, 2-acetyl-1,2,3,4-tetrahydro-1-(1H-indol-3-yl)-
CAS No: 827320-71-8 Catalog No: AG005878 MDL No:
Product Description
Catalog Number:
AG005878
Chemical Name:
Isoquinoline, 2-acetyl-1,2,3,4-tetrahydro-1-(1H-indol-3-yl)-
CAS Number:
827320-71-8
Molecular Formula:
C19H18N2O
Molecular Weight:
290.3590
IUPAC Name:
1-[1-(1H-indol-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
InChI:
InChI=1S/C19H18N2O/c1-13(22)21-11-10-14-6-2-3-7-15(14)19(21)17-12-20-18-9-5-4-8-16(17)18/h2-9,12,19-20H,10-11H2,1H3
InChI Key:
NIBAUFLJZPWHJZ-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCc2c(C1c1c[nH]c3c1cccc3)cccc2
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.366g/mol
Monoisotopic Mass:
290.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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