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324779-60-4 | 8-[(4-phenylpiperazin-1-yl)sulfonyl]quinoline
CAS No: 324779-60-4 Catalog No: AG00J070 MDL No:MFCD01353399
Product Description
Catalog Number:
AG00J070
Chemical Name:
8-[(4-phenylpiperazin-1-yl)sulfonyl]quinoline
CAS Number:
324779-60-4
Molecular Formula:
C19H19N3O2S
Molecular Weight:
353.4381
MDL Number:
MFCD01353399
IUPAC Name:
8-(4-phenylpiperazin-1-yl)sulfonylquinoline
InChI:
InChI=1S/C19H19N3O2S/c23-25(24,18-10-4-6-16-7-5-11-20-19(16)18)22-14-12-21(13-15-22)17-8-2-1-3-9-17/h1-11H,12-15H2
InChI Key:
JFJQCQAUBVYCLI-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1cccc2c1nccc2)N1CCN(CC1)c1ccccc1
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.12g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.44g/mol
Monoisotopic Mass:
353.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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