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Home > Imidazoles > 74693-60-0
74693-60-0 | 2(1H)-Quinolinone,4-(acetyloxy)-1-ethyl-3-[2-(1-methyl-5-nitro-1H-imidazol-2-yl)ethenyl]-
CAS No: 74693-60-0 Catalog No: AG005UOA MDL No:
Product Description
Catalog Number:
AG005UOA
Chemical Name:
2(1H)-Quinolinone,4-(acetyloxy)-1-ethyl-3-[2-(1-methyl-5-nitro-1H-imidazol-2-yl)ethenyl]-
CAS Number:
74693-60-0
Molecular Formula:
C19H18N4O5
Molecular Weight:
382.3700
IUPAC Name:
[1-ethyl-3-[2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]-2-oxoquinolin-4-yl] acetate
InChI:
InChI=1S/C19H18N4O5/c1-4-22-15-8-6-5-7-13(15)18(28-12(2)24)14(19(22)25)9-10-16-20-11-17(21(16)3)23(26)27/h5-11H,4H2,1-3H3
InChI Key:
HNKYVUHRFQDMBL-UHFFFAOYSA-N
SMILES:
CCn1c(=O)c(C=Cc2ncc(n2C)[N+](=O)[O-])c(c2c1cccc2)OC(=O)C
Properties
Complexity:
714
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.128g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.376g/mol
Monoisotopic Mass:
382.128g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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