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7147-96-8 | 2-(phenylsulfanyl)quinoline-4-carboxamide
CAS No: 7147-96-8 Catalog No: AG0066SV MDL No:
Product Description
Catalog Number:
AG0066SV
Chemical Name:
2-(phenylsulfanyl)quinoline-4-carboxamide
CAS Number:
7147-96-8
Molecular Formula:
C16H12N2OS
Molecular Weight:
280.3443
IUPAC Name:
2-phenylsulfanylquinoline-4-carboxamide
InChI:
InChI=1S/C16H12N2OS/c17-16(19)13-10-15(20-11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-10H,(H2,17,19)
InChI Key:
VUJPGFYDLGOFGY-UHFFFAOYSA-N
SMILES:
NC(=O)c1cc(Sc2ccccc2)nc2c1cccc2
NSC Number:
26078
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.067g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.345g/mol
Monoisotopic Mass:
280.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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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