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261-95-0 | 5H-Pyrimido[4,5-b][1,4]benzothiazine
CAS No: 261-95-0 Catalog No: AG002ROJ MDL No:
Product Description
Catalog Number:
AG002ROJ
Chemical Name:
5H-Pyrimido[4,5-b][1,4]benzothiazine
CAS Number:
261-95-0
Molecular Formula:
C10H7N3S
Molecular Weight:
201.2477
IUPAC Name:
5H-pyrimido[4,5-b][1,4]benzothiazine
InChI:
InChI=1S/C10H7N3S/c1-2-4-9-7(3-1)13-8-5-11-6-12-10(8)14-9/h1-6,13H
InChI Key:
GHFMOSDKKCCJIV-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)Sc1c(N2)cncn1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.247g/mol
Monoisotopic Mass:
201.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Design and synthesis of pyrimido[4,5-b][1,4]benzothiazine derivatives, as potent 15-lipoxygenase inhibitors. | Bioorganic & medicinal chemistry 20070301 |
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