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Home > Indoles and Oxindole > 20674-98-0
20674-98-0 | 1H-Pyrido[4,3-b]indole, 2,3,4,5-tetrahydro-8-methyl-2-(2-methylpropyl)-5-[2-(6-methyl-3-pyridinyl)ethyl]-
CAS No: 20674-98-0 Catalog No: AG002IMW MDL No:
Product Description
Catalog Number:
AG002IMW
Chemical Name:
1H-Pyrido[4,3-b]indole, 2,3,4,5-tetrahydro-8-methyl-2-(2-methylpropyl)-5-[2-(6-methyl-3-pyridinyl)ethyl]-
CAS Number:
20674-98-0
Molecular Formula:
C24H31N3
Molecular Weight:
361.5230
IUPAC Name:
8-methyl-2-(2-methylpropyl)-5-[2-(6-methylpyridin-3-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
InChI:
InChI=1S/C24H31N3/c1-17(2)15-26-11-10-24-22(16-26)21-13-18(3)5-8-23(21)27(24)12-9-20-7-6-19(4)25-14-20/h5-8,13-14,17H,9-12,15-16H2,1-4H3
InChI Key:
KNMOCSZJXJVVTK-UHFFFAOYSA-N
SMILES:
CC(CN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccc(nc1)C)C
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.252g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.533g/mol
Monoisotopic Mass:
361.252g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
21.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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