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89108-70-3 | 1,8-Naphthyridin-2(1H)-one, 3-butyl-1-phenyl-4-(2-propenyloxy)-
CAS No: 89108-70-3 Catalog No: AG003ZLN MDL No:
Product Description
Catalog Number:
AG003ZLN
Chemical Name:
1,8-Naphthyridin-2(1H)-one, 3-butyl-1-phenyl-4-(2-propenyloxy)-
CAS Number:
89108-70-3
Molecular Formula:
C21H22N2O2
Molecular Weight:
334.4116
IUPAC Name:
3-butyl-1-phenyl-4-prop-2-enoxy-1,8-naphthyridin-2-one
InChI:
InChI=1S/C21H22N2O2/c1-3-5-12-18-19(25-15-4-2)17-13-9-14-22-20(17)23(21(18)24)16-10-7-6-8-11-16/h4,6-11,13-14H,2-3,5,12,15H2,1H3
InChI Key:
RREMJCIHZZKWQR-UHFFFAOYSA-N
SMILES:
CCCCc1c(OCC=C)c2cccnc2n(c1=O)c1ccccc1
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.168g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.419g/mol
Monoisotopic Mass:
334.168g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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