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114676-84-5 | 1,8-Naphthyridine-3-carboxylic acid, 7-(4-amino-2-methyl-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, (2S-trans)- (9CI)
CAS No: 114676-84-5 Catalog No: AG000F0V MDL No:
Product Description
Catalog Number:
AG000F0V
Chemical Name:
1,8-Naphthyridine-3-carboxylic acid, 7-(4-amino-2-methyl-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-, (2S-trans)- (9CI)
CAS Number:
114676-84-5
Molecular Formula:
C20H17F3N4O3
Molecular Weight:
418.3692
IUPAC Name:
7-[(2S,4S)-4-amino-2-methylpyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
InChI:
InChI=1S/C20H17F3N4O3/c1-9-4-11(24)7-26(9)19-15(23)6-12-17(28)13(20(29)30)8-27(18(12)25-19)16-3-2-10(21)5-14(16)22/h2-3,5-6,8-9,11H,4,7,24H2,1H3,(H,29,30)/t9-,11-/m0/s1
InChI Key:
IHZWSSPWZKJJMD-ONGXEEELSA-N
SMILES:
N[C@H]1C[C@@H](N(C1)c1nc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F)C
Properties
Complexity:
738
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
418.125g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
418.376g/mol
Monoisotopic Mass:
418.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| The 2-pyridone antibacterial agents: bacterial topoisomerase inhibitors. | Medicinal research reviews 20000701 |
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