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827320-73-0 | Isoquinoline, 2-benzoyl-1,2,3,4-tetrahydro-1-(1H-indol-3-yl)-
CAS No: 827320-73-0 Catalog No: AG004UXB MDL No:
Product Description
Catalog Number:
AG004UXB
Chemical Name:
Isoquinoline, 2-benzoyl-1,2,3,4-tetrahydro-1-(1H-indol-3-yl)-
CAS Number:
827320-73-0
Molecular Formula:
C24H20N2O
Molecular Weight:
352.4284
IUPAC Name:
[1-(1H-indol-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone
InChI:
InChI=1S/C24H20N2O/c27-24(18-9-2-1-3-10-18)26-15-14-17-8-4-5-11-19(17)23(26)21-16-25-22-13-7-6-12-20(21)22/h1-13,16,23,25H,14-15H2
InChI Key:
NSSQKHPTZZLMNT-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1c1c[nH]c3c1cccc3)cccc2)c1ccccc1
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.158g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.437g/mol
Monoisotopic Mass:
352.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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