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100490-28-6 | 1,8-Naphthyridine-3-carboxylic acid, 1-(4-chlorophenyl)-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
CAS No: 100490-28-6 Catalog No: AG000240 MDL No:
Product Description
Catalog Number:
AG000240
Chemical Name:
1,8-Naphthyridine-3-carboxylic acid, 1-(4-chlorophenyl)-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
CAS Number:
100490-28-6
Molecular Formula:
C19H16ClFN4O3
Molecular Weight:
402.8067
IUPAC Name:
1-(4-chlorophenyl)-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
InChI:
InChI=1S/C19H16ClFN4O3/c20-11-1-3-12(4-2-11)25-10-14(19(27)28)16(26)13-9-15(21)18(23-17(13)25)24-7-5-22-6-8-24/h1-4,9-10,22H,5-8H2,(H,27,28)
InChI Key:
BCIJFSBPQWIONY-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)n1cc(C(=O)O)c(=O)c2c1nc(N1CCNCC1)c(c2)F
Properties
Complexity:
649
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.089g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
402.81g/mol
Monoisotopic Mass:
402.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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