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Home > Indoles and Oxindole > 149218-96-2
149218-96-2 | 1H-Indole, 1-[(4-methylphenyl)sulfonyl]-3-[2-(2-pyridinyl)ethyl]-
CAS No: 149218-96-2 Catalog No: AG001LHE MDL No:
Product Description
Catalog Number:
AG001LHE
Chemical Name:
1H-Indole, 1-[(4-methylphenyl)sulfonyl]-3-[2-(2-pyridinyl)ethyl]-
CAS Number:
149218-96-2
Molecular Formula:
C22H20N2O2S
Molecular Weight:
376.4714
IUPAC Name:
1-(4-methylphenyl)sulfonyl-3-(2-pyridin-2-ylethyl)indole
InChI:
InChI=1S/C22H20N2O2S/c1-17-9-13-20(14-10-17)27(25,26)24-16-18(21-7-2-3-8-22(21)24)11-12-19-6-4-5-15-23-19/h2-10,13-16H,11-12H2,1H3
InChI Key:
GJZASNUACRZGOP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1cc(c2c1cccc2)CCc1ccccn1
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.125g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.474g/mol
Monoisotopic Mass:
376.125g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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