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Home > Indoles and Oxindole > 113685-34-0
113685-34-0 | 1H-Indole, 2-methyl-1-[(4-methylphenyl)sulfonyl]-3-(1-phenylethenyl)-
CAS No: 113685-34-0 Catalog No: AG0009BW MDL No:
Product Description
Catalog Number:
AG0009BW
Chemical Name:
1H-Indole, 2-methyl-1-[(4-methylphenyl)sulfonyl]-3-(1-phenylethenyl)-
CAS Number:
113685-34-0
Molecular Formula:
C24H21NO2S
Molecular Weight:
387.4940
IUPAC Name:
2-methyl-1-(4-methylphenyl)sulfonyl-3-(1-phenylethenyl)indole
InChI:
InChI=1S/C24H21NO2S/c1-17-13-15-21(16-14-17)28(26,27)25-19(3)24(22-11-7-8-12-23(22)25)18(2)20-9-5-4-6-10-20/h4-16H,2H2,1,3H3
InChI Key:
VGGJIJFBGODNDH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1c2ccccc2c(c1C)C(=C)c1ccccc1
Properties
Complexity:
653
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.129g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.497g/mol
Monoisotopic Mass:
387.129g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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