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207306-50-1 | Benzo[c]thiophen-4(5H)-one, 6,7-dihydro-3-[(2-hydroxyethyl)thio]-6,6-dimethyl-1-(2-thiazolyl)-
CAS No: 207306-50-1 Catalog No: AG002IYY MDL No:
Product Description
Catalog Number:
AG002IYY
Chemical Name:
Benzo[c]thiophen-4(5H)-one, 6,7-dihydro-3-[(2-hydroxyethyl)thio]-6,6-dimethyl-1-(2-thiazolyl)-
CAS Number:
207306-50-1
Molecular Formula:
C15H17NO2S3
Molecular Weight:
339.4960
IUPAC Name:
3-(2-hydroxyethylsulfanyl)-6,6-dimethyl-1-(1,3-thiazol-2-yl)-5,7-dihydro-2-benzothiophen-4-one
InChI:
InChI=1S/C15H17NO2S3/c1-15(2)7-9-11(10(18)8-15)14(20-6-4-17)21-12(9)13-16-3-5-19-13/h3,5,17H,4,6-8H2,1-2H3
InChI Key:
QILRYFCEXLFIDS-UHFFFAOYSA-N
SMILES:
OCCSc1sc(c2c1C(=O)CC(C2)(C)C)c1nccs1
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.042g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.486g/mol
Monoisotopic Mass:
339.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of 3-heterocyclyl-7,8,9,10-tetrahydro-(7,10-ethano)-1,2,4-triazolo[3,4-a]phthalazines and analogues as subtype-selective inverse agonists for the GABA(A)alpha5 benzodiazepine binding site. | Journal of medicinal chemistry 20040701 |
| GABA(A) receptor subtype selective cognition enhancers. | Current drug targets. CNS and neurological disorders 20030801 |
| Identification of a novel, selective GABA(A) alpha5 receptor inverse agonist which enhances cognition. | Journal of medicinal chemistry 20030522 |
| 6,7-Dihydro-2-benzothiophen-4(5H)-ones: a novel class of GABA-A alpha5 receptor inverse agonists. | Journal of medicinal chemistry 20020314 |
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