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Home > Indoles and Oxindole > 20674-94-6
20674-94-6 | 1H-Pyrido[4,3-b]indole, 2-butyl-2,3,4,5-tetrahydro-5-[2-(6-methyl-3-pyridinyl)ethyl]-
CAS No: 20674-94-6 Catalog No: AG002IMX MDL No:
Product Description
Catalog Number:
AG002IMX
Chemical Name:
1H-Pyrido[4,3-b]indole, 2-butyl-2,3,4,5-tetrahydro-5-[2-(6-methyl-3-pyridinyl)ethyl]-
CAS Number:
20674-94-6
Molecular Formula:
C23H29N3
Molecular Weight:
347.4965
IUPAC Name:
2-butyl-5-[2-(6-methylpyridin-3-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
InChI:
InChI=1S/C23H29N3/c1-3-4-13-25-14-12-23-21(17-25)20-7-5-6-8-22(20)26(23)15-11-19-10-9-18(2)24-16-19/h5-10,16H,3-4,11-15,17H2,1-2H3
InChI Key:
XIAHJIQQDNEZAT-UHFFFAOYSA-N
SMILES:
CCCCN1CCc2c(C1)c1ccccc1n2CCc1ccc(nc1)C
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.236g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.506g/mol
Monoisotopic Mass:
347.236g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
21.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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