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Home > Indoles and Oxindole > 102313-73-5
102313-73-5 | 1,2-Ethanedione, 1-(1-methyl-2-phenyl-1H-indol-3-yl)-2-(1-piperidinyl)-
CAS No: 102313-73-5 Catalog No: AG000770 MDL No:
Product Description
Catalog Number:
AG000770
Chemical Name:
1,2-Ethanedione, 1-(1-methyl-2-phenyl-1H-indol-3-yl)-2-(1-piperidinyl)-
CAS Number:
102313-73-5
Molecular Formula:
C22H22N2O2
Molecular Weight:
346.4223
IUPAC Name:
1-(1-methyl-2-phenylindol-3-yl)-2-piperidin-1-ylethane-1,2-dione
InChI:
InChI=1S/C22H22N2O2/c1-23-18-13-7-6-12-17(18)19(20(23)16-10-4-2-5-11-16)21(25)22(26)24-14-8-3-9-15-24/h2,4-7,10-13H,3,8-9,14-15H2,1H3
InChI Key:
GCRMRAGMNYYIBR-UHFFFAOYSA-N
SMILES:
O=C(C(=O)c1c(c2ccccc2)n(c2c1cccc2)C)N1CCCCC1
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.168g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.43g/mol
Monoisotopic Mass:
346.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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