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84424-24-8 | 7-(3-AMINOPYRROLIDIN-1-YL)-6-FLUORO-1-(2-FLUOROETHYL)-4-OXO-1,8-NAPHTH YRIDINE-3-CARBOXYLIC ACID
CAS No: 84424-24-8 Catalog No: AG0055QY MDL No:
Product Description
Catalog Number:
AG0055QY
Chemical Name:
7-(3-AMINOPYRROLIDIN-1-YL)-6-FLUORO-1-(2-FLUOROETHYL)-4-OXO-1,8-NAPHTH YRIDINE-3-CARBOXYLIC ACID
CAS Number:
84424-24-8
Molecular Formula:
C15H16F2N4O3
Molecular Weight:
338.3093
IUPAC Name:
7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
InChI:
InChI=1S/C15H16F2N4O3/c16-2-4-21-7-10(15(23)24)12(22)9-5-11(17)14(19-13(9)21)20-3-1-8(18)6-20/h5,7-8H,1-4,6,18H2,(H,23,24)
InChI Key:
OMDGGTYCELVKRG-UHFFFAOYSA-N
SMILES:
FCCn1cc(C(=O)O)c(=O)c2c1nc(N1CCC(C1)N)c(c2)F
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.119g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.315g/mol
Monoisotopic Mass:
338.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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