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380899-24-1 | N-[[(2S)-1-[[5-(4-Fluorophenyl)-2-methyl-4-thiazolyl]carbonyl]-2-piperidinyl]methyl]-4-benzofurancarboxamide
CAS No: 380899-24-1 Catalog No: AG003A2W MDL No:
Product Description
Catalog Number:
AG003A2W
Chemical Name:
N-[[(2S)-1-[[5-(4-Fluorophenyl)-2-methyl-4-thiazolyl]carbonyl]-2-piperidinyl]methyl]-4-benzofurancarboxamide
CAS Number:
380899-24-1
Molecular Formula:
C26H24FN3O3S
Molecular Weight:
477.5505
IUPAC Name:
N-[[(2S)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-1-benzofuran-4-carboxamide
InChI:
InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-8-10-18(27)11-9-17)26(32)30-13-3-2-5-19(30)15-28-25(31)21-6-4-7-22-20(21)12-14-33-22/h4,6-12,14,19H,2-3,5,13,15H2,1H3,(H,28,31)/t19-/m0/s1
InChI Key:
ZJXIUGNEAIHSBI-IBGZPJMESA-N
SMILES:
Fc1ccc(cc1)c1sc(nc1C(=O)N1CCCC[C@H]1CNC(=O)c1cccc2c1cco2)C
UNII:
1L1V1K2M4V
Properties
Complexity:
734
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
477.152g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
477.554g/mol
Monoisotopic Mass:
477.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
Literature
| Title | Journal |
|---|---|
| Dual orexin receptor antagonists - promising agents in the treatment of sleep disorders. | The international journal of neuropsychopharmacology 20140101 |
| Selective orexin receptor antagonists. | Bioorganic & medicinal chemistry letters 20130901 |
| Phase I studies on the safety, tolerability, pharmacokinetics and pharmacodynamics of SB-649868, a novel dual orexin receptor antagonist. | Journal of psychopharmacology (Oxford, England) 20120801 |
| Differential effects of a dual orexin receptor antagonist (SB-649868) and zolpidem on sleep initiation and consolidation, SWS, REM sleep, and EEG power spectra in a model of situational insomnia. | Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology 20120401 |
| Discovery process and pharmacological characterization of a novel dual orexin 1 and orexin 2 receptor antagonist useful for treatment of sleep disorders. | Bioorganic & medicinal chemistry letters 20110915 |
| Disposition and metabolism of [14C]SB-649868, an orexin 1 and 2 receptor antagonist, in humans. | Drug metabolism and disposition: the biological fate of chemicals 20110201 |
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