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87939-13-7 | 1-ETHYL-6-FLUORO-7-(4-FORMYL-PIPERAZIN-1-YL)-4-OXO-1,4-DIHYDRO-[1,8]NAPHTHYRIDINE-3-CARBOXYLIC ACID
CAS No: 87939-13-7 Catalog No: AG004GS5 MDL No:
Product Description
Catalog Number:
AG004GS5
Chemical Name:
1-ETHYL-6-FLUORO-7-(4-FORMYL-PIPERAZIN-1-YL)-4-OXO-1,4-DIHYDRO-[1,8]NAPHTHYRIDINE-3-CARBOXYLIC ACID
CAS Number:
87939-13-7
Molecular Formula:
C16H17FN4O4
Molecular Weight:
348.3290
IUPAC Name:
1-ethyl-6-fluoro-7-(4-formylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
InChI:
InChI=1S/C16H17FN4O4/c1-2-20-8-11(16(24)25)13(23)10-7-12(17)15(18-14(10)20)21-5-3-19(9-22)4-6-21/h7-9H,2-6H2,1H3,(H,24,25)
InChI Key:
BWONSKDEHNBHTK-UHFFFAOYSA-N
SMILES:
O=CN1CCN(CC1)c1nc2n(CC)cc(c(=O)c2cc1F)C(=O)O
Properties
Complexity:
591
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.123g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.334g/mol
Monoisotopic Mass:
348.123g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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