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Home > Indoles and Oxindole > 129667-02-3
129667-02-3 | 1H-Indole, 4-cyclohexyl-1-[(4-methylphenyl)sulfonyl]-
CAS No: 129667-02-3 Catalog No: AG000TL7 MDL No:
Product Description
Catalog Number:
AG000TL7
Chemical Name:
1H-Indole, 4-cyclohexyl-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
129667-02-3
Molecular Formula:
C21H23NO2S
Molecular Weight:
353.4778
IUPAC Name:
4-cyclohexyl-1-(4-methylphenyl)sulfonylindole
InChI:
InChI=1S/C21H23NO2S/c1-16-10-12-18(13-11-16)25(23,24)22-15-14-20-19(8-5-9-21(20)22)17-6-3-2-4-7-17/h5,8-15,17H,2-4,6-7H2,1H3
InChI Key:
XENRXFRJCBHFNW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1ccc2c1cccc2C1CCCCC1
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.145g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.48g/mol
Monoisotopic Mass:
353.145g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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