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89108-86-1 | 1,8-Naphthyridin-2(1H)-one, 3-butyl-4-ethoxy-1-phenyl-
CAS No: 89108-86-1 Catalog No: AG003ZLJ MDL No:
Product Description
Catalog Number:
AG003ZLJ
Chemical Name:
1,8-Naphthyridin-2(1H)-one, 3-butyl-4-ethoxy-1-phenyl-
CAS Number:
89108-86-1
Molecular Formula:
C20H22N2O2
Molecular Weight:
322.4009
IUPAC Name:
3-butyl-4-ethoxy-1-phenyl-1,8-naphthyridin-2-one
InChI:
InChI=1S/C20H22N2O2/c1-3-5-12-17-18(24-4-2)16-13-9-14-21-19(16)22(20(17)23)15-10-7-6-8-11-15/h6-11,13-14H,3-5,12H2,1-2H3
InChI Key:
YMQVDGMHNVNNFY-UHFFFAOYSA-N
SMILES:
CCCCc1c(OCC)c2cccnc2n(c1=O)c1ccccc1
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.168g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.408g/mol
Monoisotopic Mass:
322.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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