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Home > Indoles and Oxindole > 116729-32-9
116729-32-9 | 1H-Indole, 3-[2-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)ethyl]-5-methoxy-
CAS No: 116729-32-9 Catalog No: AG000D54 MDL No:
Product Description
Catalog Number:
AG000D54
Chemical Name:
1H-Indole, 3-[2-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)ethyl]-5-methoxy-
CAS Number:
116729-32-9
Molecular Formula:
C22H24N2O
Molecular Weight:
332.4388
IUPAC Name:
5-methoxy-3-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-1H-indole
InChI:
InChI=1S/C22H24N2O/c1-25-20-7-8-22-21(15-20)19(16-23-22)11-14-24-12-9-18(10-13-24)17-5-3-2-4-6-17/h2-9,15-16,23H,10-14H2,1H3
InChI Key:
NPIDMYBXUNMQCE-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(CCN1CCC(=CC1)c1ccccc1)c[nH]2
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.189g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.447g/mol
Monoisotopic Mass:
332.189g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
28.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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