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Home > Indoles and Oxindole > 109105-59-1
109105-59-1 | 1H-Indole, 4-(2,4-dioxo-4-phenylbutyl)-1-[(4-methylphenyl)sulfonyl]-
CAS No: 109105-59-1 Catalog No: AG0082TD MDL No:
Product Description
Catalog Number:
AG0082TD
Chemical Name:
1H-Indole, 4-(2,4-dioxo-4-phenylbutyl)-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
109105-59-1
Molecular Formula:
C25H21NO4S
Molecular Weight:
431.5035
IUPAC Name:
4-[1-(4-methylphenyl)sulfonylindol-4-yl]-1-phenylbutane-1,3-dione
InChI:
InChI=1S/C25H21NO4S/c1-18-10-12-22(13-11-18)31(29,30)26-15-14-23-20(8-5-9-24(23)26)16-21(27)17-25(28)19-6-3-2-4-7-19/h2-15H,16-17H2,1H3
InChI Key:
XBFZZZHZDYHZDE-UHFFFAOYSA-N
SMILES:
O=C(Cc1cccc2c1ccn2S(=O)(=O)c1ccc(cc1)C)CC(=O)c1ccccc1
Properties
Complexity:
744
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.119g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
431.506g/mol
Monoisotopic Mass:
431.119g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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