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10440-82-1 | 2H-Pyrazolo[4,3-c]quinoline, 4,5-dihydro-5-[(4-methylphenyl)sulfonyl]-
CAS No: 10440-82-1 Catalog No: AG007Y41 MDL No:
Product Description
Catalog Number:
AG007Y41
Chemical Name:
2H-Pyrazolo[4,3-c]quinoline, 4,5-dihydro-5-[(4-methylphenyl)sulfonyl]-
CAS Number:
10440-82-1
Molecular Formula:
C17H15N3O2S
Molecular Weight:
325.3849
IUPAC Name:
5-(4-methylphenyl)sulfonyl-1,4-dihydropyrazolo[4,3-c]quinoline
InChI:
InChI=1S/C17H15N3O2S/c1-12-6-8-14(9-7-12)23(21,22)20-11-13-10-18-19-17(13)15-4-2-3-5-16(15)20/h2-10H,11H2,1H3,(H,18,19)
InChI Key:
WXAIYTOYMDWFHD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1Cc2c[nH]nc2c2c1cccc2
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.088g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.386g/mol
Monoisotopic Mass:
325.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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