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115274-33-4 | 1,8-Naphthyridine-3-carboxylic acid, 6-fluoro-1,4-dihydro-4-oxo-1-(phenylmethyl)-7-(1-piperazinyl)-
CAS No: 115274-33-4 Catalog No: AG000GJY MDL No:
Product Description
Catalog Number:
AG000GJY
Chemical Name:
1,8-Naphthyridine-3-carboxylic acid, 6-fluoro-1,4-dihydro-4-oxo-1-(phenylmethyl)-7-(1-piperazinyl)-
CAS Number:
115274-33-4
Molecular Formula:
C20H19FN4O3
Molecular Weight:
382.3883
IUPAC Name:
1-benzyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
InChI:
InChI=1S/C20H19FN4O3/c21-16-10-14-17(26)15(20(27)28)12-25(11-13-4-2-1-3-5-13)18(14)23-19(16)24-8-6-22-7-9-24/h1-5,10,12,22H,6-9,11H2,(H,27,28)
InChI Key:
OMEINYNFCGFQDH-UHFFFAOYSA-N
SMILES:
Fc1cc2c(nc1N1CCNCC1)n(Cc1ccccc1)cc(c2=O)C(=O)O
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.144g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
382.395g/mol
Monoisotopic Mass:
382.144g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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