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100426-72-0 | 1,8-Naphthyridine-3-carboxylic acid, 6-fluoro-1,4-dihydro-4-oxo-1-phenyl-7-(1-piperazinyl)-
CAS No: 100426-72-0 Catalog No: AG0001YX MDL No:
Product Description
Catalog Number:
AG0001YX
Chemical Name:
1,8-Naphthyridine-3-carboxylic acid, 6-fluoro-1,4-dihydro-4-oxo-1-phenyl-7-(1-piperazinyl)-
CAS Number:
100426-72-0
Molecular Formula:
C19H17FN4O3
Molecular Weight:
368.3617
IUPAC Name:
6-fluoro-4-oxo-1-phenyl-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
InChI:
InChI=1S/C19H17FN4O3/c20-15-10-13-16(25)14(19(26)27)11-24(12-4-2-1-3-5-12)17(13)22-18(15)23-8-6-21-7-9-23/h1-5,10-11,21H,6-9H2,(H,26,27)
InChI Key:
OLFLLRNKUOVXCH-UHFFFAOYSA-N
SMILES:
Fc1cc2c(nc1N1CCNCC1)n(cc(c2=O)C(=O)O)c1ccccc1
Properties
Complexity:
616
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.128g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
368.368g/mol
Monoisotopic Mass:
368.128g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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