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Home > Indoles and Oxindole > 866133-91-7
866133-91-7 | 3-hexyl-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-1,2-dihydropyridin-2-one
CAS No: 866133-91-7 Catalog No: AG00IS0C MDL No:MFCD04126037
Product Description
Catalog Number:
AG00IS0C
Chemical Name:
3-hexyl-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-1,2-dihydropyridin-2-one
CAS Number:
866133-91-7
Molecular Formula:
C21H26N2O2
Molecular Weight:
338.4433
MDL Number:
MFCD04126037
IUPAC Name:
3-hexyl-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]pyridin-2-one
InChI:
InChI=1S/C21H26N2O2/c1-2-3-4-5-9-18-20(24)12-14-23(21(18)25)13-11-16-15-22-19-10-7-6-8-17(16)19/h6-8,10,12,14-15,22,24H,2-5,9,11,13H2,1H3
InChI Key:
XSBSUSVQEFJBKP-UHFFFAOYSA-N
SMILES:
CCCCCCc1c(O)ccn(c1=O)CCc1c[nH]c2c1cccc2
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.199g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.451g/mol
Monoisotopic Mass:
338.199g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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