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Home > Indoles and Oxindole > 20771-45-3
20771-45-3 | 1H-Pyrido[4,3-b]indole, 2-ethyl-2,3,4,5-tetrahydro-5-[2-(6-methyl-3-pyridinyl)ethyl]-
CAS No: 20771-45-3 Catalog No: AG002J7Z MDL No:
Product Description
Catalog Number:
AG002J7Z
Chemical Name:
1H-Pyrido[4,3-b]indole, 2-ethyl-2,3,4,5-tetrahydro-5-[2-(6-methyl-3-pyridinyl)ethyl]-
CAS Number:
20771-45-3
Molecular Formula:
C21H25N3
Molecular Weight:
319.4433
IUPAC Name:
2-ethyl-5-[2-(6-methylpyridin-3-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
InChI:
InChI=1S/C21H25N3/c1-3-23-12-11-21-19(15-23)18-6-4-5-7-20(18)24(21)13-10-17-9-8-16(2)22-14-17/h4-9,14H,3,10-13,15H2,1-2H3
InChI Key:
OLVXWUCATGYKSG-UHFFFAOYSA-N
SMILES:
CCN1CCc2c(C1)c1ccccc1n2CCc1ccc(nc1)C
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.205g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.452g/mol
Monoisotopic Mass:
319.205g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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