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99420-15-2 | 4H-1,3-Benzothiazin-4-one, 2-(2-pyridinyl)-
CAS No: 99420-15-2 Catalog No: AG01FGAT MDL No:
Product Description
Catalog Number:
AG01FGAT
Chemical Name:
4H-1,3-Benzothiazin-4-one, 2-(2-pyridinyl)-
CAS Number:
99420-15-2
Molecular Formula:
C13H8N2OS
Molecular Weight:
240.2804
IUPAC Name:
2-pyridin-2-yl-1,3-benzothiazin-4-one
InChI:
InChI=1S/C13H8N2OS/c16-12-9-5-1-2-7-11(9)17-13(15-12)10-6-3-4-8-14-10/h1-8H
InChI Key:
GBAKVEWPYUIGHN-UHFFFAOYSA-N
SMILES:
O=c1nc(sc2c1cccc2)c1ccccn1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.036g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.28g/mol
Monoisotopic Mass:
240.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| BTZO-1, a cardioprotective agent, reveals that macrophage migration inhibitory factor regulates ARE-mediated gene expression. | Chemistry & biology 20101222 |
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