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Home > Indoles and Oxindole > 146253-26-1
146253-26-1 | Pyrrolo[3,4-b]indole, 2,4-dihydro-1,3-dimethyl-4-(phenylsulfonyl)-
CAS No: 146253-26-1 Catalog No: AG001DTP MDL No:
Product Description
Catalog Number:
AG001DTP
Chemical Name:
Pyrrolo[3,4-b]indole, 2,4-dihydro-1,3-dimethyl-4-(phenylsulfonyl)-
CAS Number:
146253-26-1
Molecular Formula:
C18H16N2O2S
Molecular Weight:
324.3968
IUPAC Name:
4-(benzenesulfonyl)-1,3-dimethyl-2H-pyrrolo[3,4-b]indole
InChI:
InChI=1S/C18H16N2O2S/c1-12-17-15-10-6-7-11-16(15)20(18(17)13(2)19-12)23(21,22)14-8-4-3-5-9-14/h3-11,19H,1-2H3
InChI Key:
XHMFLZUNHKYHND-UHFFFAOYSA-N
SMILES:
Cc1[nH]c(c2c1c1ccccc1n2S(=O)(=O)c1ccccc1)C
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.093g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.398g/mol
Monoisotopic Mass:
324.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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