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89108-93-0 | 1,8-Naphthyridin-2(1H)-one, 3-butyl-4-hydroxy-1-[3-(methylthio)phenyl]-
CAS No: 89108-93-0 Catalog No: AG003ZLI MDL No:
Product Description
Catalog Number:
AG003ZLI
Chemical Name:
1,8-Naphthyridin-2(1H)-one, 3-butyl-4-hydroxy-1-[3-(methylthio)phenyl]-
CAS Number:
89108-93-0
Molecular Formula:
C19H20N2O2S
Molecular Weight:
340.4393
IUPAC Name:
3-butyl-4-hydroxy-1-(3-methylsulfanylphenyl)-1,8-naphthyridin-2-one
InChI:
InChI=1S/C19H20N2O2S/c1-3-4-9-16-17(22)15-10-6-11-20-18(15)21(19(16)23)13-7-5-8-14(12-13)24-2/h5-8,10-12,22H,3-4,9H2,1-2H3
InChI Key:
UWJIHUGSQFGHNO-UHFFFAOYSA-N
SMILES:
CCCCc1c(O)c2cccnc2n(c1=O)c1cccc(c1)SC
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.125g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.441g/mol
Monoisotopic Mass:
340.125g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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