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178548-28-2 | 1,8-Naphthyridin-2(1H)-one, 4-phenyl-1-(phenylmethyl)-
CAS No: 178548-28-2 Catalog No: AG00265R MDL No:
Product Description
Catalog Number:
AG00265R
Chemical Name:
1,8-Naphthyridin-2(1H)-one, 4-phenyl-1-(phenylmethyl)-
CAS Number:
178548-28-2
Molecular Formula:
C21H16N2O
Molecular Weight:
312.3645
IUPAC Name:
1-benzyl-4-phenyl-1,8-naphthyridin-2-one
InChI:
InChI=1S/C21H16N2O/c24-20-14-19(17-10-5-2-6-11-17)18-12-7-13-22-21(18)23(20)15-16-8-3-1-4-9-16/h1-14H,15H2
InChI Key:
WGLIANMBKVBJNI-UHFFFAOYSA-N
SMILES:
O=c1cc(c2ccccc2)c2c(n1Cc1ccccc1)nccc2
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.126g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.372g/mol
Monoisotopic Mass:
312.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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