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22726-30-3 | 7-Methoxy-2H-benzo[b][1,4]thiazin-3(4H);-one
CAS No: 22726-30-3 Catalog No: AG003NFU MDL No:MFCD02660686
Product Description
Catalog Number:
AG003NFU
Chemical Name:
7-Methoxy-2H-benzo[b][1,4]thiazin-3(4H);-one
CAS Number:
22726-30-3
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
MDL Number:
MFCD02660686
IUPAC Name:
7-methoxy-4H-1,4-benzothiazin-3-one
InChI:
InChI=1S/C9H9NO2S/c1-12-6-2-3-7-8(4-6)13-5-9(11)10-7/h2-4H,5H2,1H3,(H,10,11)
InChI Key:
ZITGVVWIRFDIBZ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)SCC(=O)N2
NSC Number:
718741
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.236g/mol
Monoisotopic Mass:
195.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Inhibitors of cyclic AMP phosphodiesterase. 1. Analogues of cilostamide and anagrelide. | Journal of medicinal chemistry 19870201 |
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