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19111-35-4 | 4H-1,4-Benzothiazine, 3-phenyl-, 1,1-dioxide
CAS No: 19111-35-4 Catalog No: AG002F2E MDL No:
Product Description
Catalog Number:
AG002F2E
Chemical Name:
4H-1,4-Benzothiazine, 3-phenyl-, 1,1-dioxide
CAS Number:
19111-35-4
Molecular Formula:
C14H11NO2S
Molecular Weight:
257.3076
IUPAC Name:
3-phenyl-4H-1λ6,4-benzothiazine 1,1-dioxide
InChI:
InChI=1S/C14H11NO2S/c16-18(17)10-13(11-6-2-1-3-7-11)15-12-8-4-5-9-14(12)18/h1-10,15H
InChI Key:
NINBGMPLKBORFM-UHFFFAOYSA-N
SMILES:
O=S1(=O)C=C(Nc2c1cccc2)c1ccccc1
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.307g/mol
Monoisotopic Mass:
257.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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