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Home > Thiazole > 1233533-04-4
1233533-04-4 | 3,4-Dihydro-9-hydroxy-[1]benzothieno[2,3-f]-1,4-thiazepin-5(2H)-one
CAS No: 1233533-04-4 Catalog No: AG009CCK MDL No:MFCD18086915
Product Description
Catalog Number:
AG009CCK
Chemical Name:
3,4-Dihydro-9-hydroxy-[1]benzothieno[2,3-f]-1,4-thiazepin-5(2H)-one
CAS Number:
1233533-04-4
Molecular Formula:
C11H9NO2S2
Molecular Weight:
251.3247
MDL Number:
MFCD18086915
IUPAC Name:
9-hydroxy-3,4-dihydro-2H-[1]benzothiolo[2,3-f][1,4]thiazepin-5-one
InChI:
InChI=1S/C11H9NO2S2/c13-6-1-2-8-7(5-6)9-10(16-8)11(14)12-3-4-15-9/h1-2,5,13H,3-4H2,(H,12,14)
InChI Key:
DHUAGGSHTKPOHU-UHFFFAOYSA-N
SMILES:
Oc1cc2c3SCCNC(=O)c3sc2cc1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.007g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.318g/mol
Monoisotopic Mass:
251.007g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Synthesis and Structure-Activity Relationships of Benzothienothiazepinone Inhibitors of Protein Kinase D. | ACS medicinal chemistry letters 20110210 |
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