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76148-93-1 | 2H-1,4-Benzothiazine,3-(4-methoxyphenyl)-
CAS No: 76148-93-1 Catalog No: AG008OGA MDL No:MFCD08056202
Product Description
Catalog Number:
AG008OGA
Chemical Name:
2H-1,4-Benzothiazine,3-(4-methoxyphenyl)-
CAS Number:
76148-93-1
Molecular Formula:
C15H13NOS
Molecular Weight:
255.3348
MDL Number:
MFCD08056202
IUPAC Name:
3-(4-methoxyphenyl)-2H-1,4-benzothiazine
InChI:
InChI=1S/C15H13NOS/c1-17-12-8-6-11(7-9-12)14-10-18-15-5-3-2-4-13(15)16-14/h2-9H,10H2,1H3
InChI Key:
LKAHIFRKFWYUFW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1=Nc2c(SC1)cccc2
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.335g/mol
Monoisotopic Mass:
255.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Discovery of novel inhibitors of the NorA multidrug transporter of Staphylococcus aureus. | Journal of medicinal chemistry 20110113 |
| 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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