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296771-78-3 | N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)quinoline-8-sulfonamide
CAS No: 296771-78-3 Catalog No: AG00IXFK MDL No:MFCD00785320
Product Description
Catalog Number:
AG00IXFK
Chemical Name:
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)quinoline-8-sulfonamide
CAS Number:
296771-78-3
Molecular Formula:
C20H18N4O3S
Molecular Weight:
394.4469
MDL Number:
MFCD00785320
IUPAC Name:
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)quinoline-8-sulfonamide
InChI:
InChI=1S/C20H18N4O3S/c1-14-18(20(25)24(23(14)2)16-10-4-3-5-11-16)22-28(26,27)17-12-6-8-15-9-7-13-21-19(15)17/h3-13,22H,1-2H3
InChI Key:
SPXHFUGRVINCDQ-UHFFFAOYSA-N
SMILES:
Cc1n(C)n(c(=O)c1NS(=O)(=O)c1cccc2c1nccc2)c1ccccc1
Properties
Complexity:
739
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.11g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
394.449g/mol
Monoisotopic Mass:
394.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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