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128751-33-7 | 3-Quinolinecarboxylic acid, 7-[(2-aminoethyl)thio]-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-
CAS No: 128751-33-7 Catalog No: AG000YD0 MDL No:
Product Description
Catalog Number:
AG000YD0
Chemical Name:
3-Quinolinecarboxylic acid, 7-[(2-aminoethyl)thio]-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-
CAS Number:
128751-33-7
Molecular Formula:
C15H15FN2O3S
Molecular Weight:
322.3546
IUPAC Name:
7-(2-aminoethylsulfanyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C15H15FN2O3S/c16-11-5-9-12(6-13(11)22-4-3-17)18(8-1-2-8)7-10(14(9)19)15(20)21/h5-8H,1-4,17H2,(H,20,21)
InChI Key:
DJRCXRJWNQKZPL-UHFFFAOYSA-N
SMILES:
NCCSc1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.079g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.354g/mol
Monoisotopic Mass:
322.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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