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89108-54-3 | 1,8-Naphthyridin-2(1H)-one, 3-butyl-4-(2-hydroxyethoxy)-1-phenyl-
CAS No: 89108-54-3 Catalog No: AG003YG5 MDL No:
Product Description
Catalog Number:
AG003YG5
Chemical Name:
1,8-Naphthyridin-2(1H)-one, 3-butyl-4-(2-hydroxyethoxy)-1-phenyl-
CAS Number:
89108-54-3
Molecular Formula:
C20H22N2O3
Molecular Weight:
338.4003
IUPAC Name:
3-butyl-4-(2-hydroxyethoxy)-1-phenyl-1,8-naphthyridin-2-one
InChI:
InChI=1S/C20H22N2O3/c1-2-3-10-17-18(25-14-13-23)16-11-7-12-21-19(16)22(20(17)24)15-8-5-4-6-9-15/h4-9,11-12,23H,2-3,10,13-14H2,1H3
InChI Key:
HYAGUMDMHFIZCX-UHFFFAOYSA-N
SMILES:
CCCCc1c(OCCO)c2cccnc2n(c1=O)c1ccccc1
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.163g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.407g/mol
Monoisotopic Mass:
338.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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