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19195-31-4 | 2H-1,4-Benzothiazine, 3-(4-methylphenyl)-
CAS No: 19195-31-4 Catalog No: AG002FKP MDL No:
Product Description
Catalog Number:
AG002FKP
Chemical Name:
2H-1,4-Benzothiazine, 3-(4-methylphenyl)-
CAS Number:
19195-31-4
Molecular Formula:
C15H13NS
Molecular Weight:
239.3354
IUPAC Name:
3-(4-methylphenyl)-2H-1,4-benzothiazine
InChI:
InChI=1S/C15H13NS/c1-11-6-8-12(9-7-11)14-10-17-15-5-3-2-4-13(15)16-14/h2-9H,10H2,1H3
InChI Key:
SFKYSWWVKDKMII-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1=Nc2c(SC1)cccc2
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.336g/mol
Monoisotopic Mass:
239.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| From phenothiazine to 3-phenyl-1,4-benzothiazine derivatives as inhibitors of the Staphylococcus aureus NorA multidrug efflux pump. | Journal of medicinal chemistry 20080724 |
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