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Home > Indoles and Oxindole > 180637-89-2
180637-89-2 | 1H-Indole, 3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-5-[2-(phenylsulfonyl)ethenyl]-
CAS No: 180637-89-2 Catalog No: AG002279 MDL No:MFCD09751002
Product Description
Catalog Number:
AG002279
Chemical Name:
1H-Indole, 3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-5-[2-(phenylsulfonyl)ethenyl]-
CAS Number:
180637-89-2
Molecular Formula:
C22H24N2O2S
Molecular Weight:
380.5032
MDL Number:
MFCD09751002
IUPAC Name:
5-[(E)-2-(benzenesulfonyl)ethenyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
InChI:
InChI=1S/C22H24N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-11,13-14,16,19,23H,5-6,12,15H2,1H3/b13-11+/t19-/m1/s1
InChI Key:
MJICWWOZPCLNBP-XSSIKURBSA-N
SMILES:
CN1CCC[C@@H]1Cc1c[nH]c2c1cc(cc2)C=CS(=O)(=O)c1ccccc1
Properties
Complexity:
621
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Exact Mass:
380.156g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.506g/mol
Monoisotopic Mass:
380.156g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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