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89108-78-1 | 1,8-Naphthyridin-2(1H)-one, 4-(acetyloxy)-3-(8-nonenyl)-1-phenyl-
CAS No: 89108-78-1 Catalog No: AG003ZLL MDL No:
Product Description
Catalog Number:
AG003ZLL
Chemical Name:
1,8-Naphthyridin-2(1H)-one, 4-(acetyloxy)-3-(8-nonenyl)-1-phenyl-
CAS Number:
89108-78-1
Molecular Formula:
C25H28N2O3
Molecular Weight:
404.5014
IUPAC Name:
(3-non-8-enyl-2-oxo-1-phenyl-1,8-naphthyridin-4-yl) acetate
InChI:
InChI=1S/C25H28N2O3/c1-3-4-5-6-7-8-12-16-22-23(30-19(2)28)21-17-13-18-26-24(21)27(25(22)29)20-14-10-9-11-15-20/h3,9-11,13-15,17-18H,1,4-8,12,16H2,2H3
InChI Key:
NCHSBEAYIJIIHQ-UHFFFAOYSA-N
SMILES:
C=CCCCCCCCc1c(OC(=O)C)c2cccnc2n(c1=O)c1ccccc1
Properties
Complexity:
636
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.21g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.51g/mol
Monoisotopic Mass:
404.21g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
59.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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