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Home > Indoles and Oxindole > 876931-43-0
876931-43-0 | 4-Piperidinone, 2,6-di-1H-indol-3-yl-
CAS No: 876931-43-0 Catalog No: AG004NS4 MDL No:
Product Description
Catalog Number:
AG004NS4
Chemical Name:
4-Piperidinone, 2,6-di-1H-indol-3-yl-
CAS Number:
876931-43-0
Molecular Formula:
C21H19N3O
Molecular Weight:
329.3951
IUPAC Name:
2,6-bis(1H-indol-3-yl)piperidin-4-one
InChI:
InChI=1S/C21H19N3O/c25-13-9-20(16-11-22-18-7-3-1-5-14(16)18)24-21(10-13)17-12-23-19-8-4-2-6-15(17)19/h1-8,11-12,20-24H,9-10H2
InChI Key:
DRMVRQBKPITBOS-UHFFFAOYSA-N
SMILES:
O=C1CC(NC(C1)c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.153g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
329.403g/mol
Monoisotopic Mass:
329.153g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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