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Home > Indoles and Oxindole > 20675-02-9
20675-02-9 | 1H-Pyrido[4,3-b]indole, 2,3,4,5-tetrahydro-8-methyl-2-(3-methylbutyl)-5-[2-(6-methyl-3-pyridinyl)ethyl]-
CAS No: 20675-02-9 Catalog No: AG002IMV MDL No:
Product Description
Catalog Number:
AG002IMV
Chemical Name:
1H-Pyrido[4,3-b]indole, 2,3,4,5-tetrahydro-8-methyl-2-(3-methylbutyl)-5-[2-(6-methyl-3-pyridinyl)ethyl]-
CAS Number:
20675-02-9
Molecular Formula:
C25H33N3
Molecular Weight:
375.5496
IUPAC Name:
8-methyl-2-(3-methylbutyl)-5-[2-(6-methylpyridin-3-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
InChI:
InChI=1S/C25H33N3/c1-18(2)9-12-27-13-11-25-23(17-27)22-15-19(3)5-8-24(22)28(25)14-10-21-7-6-20(4)26-16-21/h5-8,15-16,18H,9-14,17H2,1-4H3
InChI Key:
CWZJMLAOUVDGTH-UHFFFAOYSA-N
SMILES:
CC(CCN1CCc2c(C1)c1cc(C)ccc1n2CCc1ccc(nc1)C)C
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.267g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.56g/mol
Monoisotopic Mass:
375.267g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
21.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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