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156364-04-4 | 1,6-Naphthyridin-2(1H)-one, 5,6,7,8-tetrahydro-3-(5-methoxy-1,3,4-oxadiazol-2-yl)-6-(phenylmethyl)-
CAS No: 156364-04-4 Catalog No: AG001OP0 MDL No:
Product Description
Catalog Number:
AG001OP0
Chemical Name:
1,6-Naphthyridin-2(1H)-one, 5,6,7,8-tetrahydro-3-(5-methoxy-1,3,4-oxadiazol-2-yl)-6-(phenylmethyl)-
CAS Number:
156364-04-4
Molecular Formula:
C18H18N4O3
Molecular Weight:
338.3605
IUPAC Name:
6-benzyl-3-(5-methoxy-1,3,4-oxadiazol-2-yl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
InChI:
InChI=1S/C18H18N4O3/c1-24-18-21-20-17(25-18)14-9-13-11-22(8-7-15(13)19-16(14)23)10-12-5-3-2-4-6-12/h2-6,9H,7-8,10-11H2,1H3,(H,19,23)
InChI Key:
BZLLVTYOOJNQIF-UHFFFAOYSA-N
SMILES:
COc1nnc(o1)c1cc2CN(CCc2[nH]c1=O)Cc1ccccc1
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.138g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.367g/mol
Monoisotopic Mass:
338.138g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Stabilization study on a wet-granule tableting method for a compression-sensitive benzodiazepine receptor agonist. | Chemical & pharmaceutical bulletin 20100301 |
| Effects of compression and grinding on chemical stability of a benzodiazepine receptor agonist. | Chemical & pharmaceutical bulletin 20100101 |
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