AC1NQQ4K

6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid

Also Known As: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1S)-1-(hydroxymethyl)-2,2-dimethyl-propyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid|3-Quinolinecarboxylic acid, 6-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-(tert-butyl)-2-hydroxyethyl]-8-methoxy-4-oxo-|6-[(3-Chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-(hydroxymethyl)-2,2-dimethylpropyl]-8-methoxy-4-oxo-3-quinolinecarboxylic acid|6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid

Molecular Formula	C24H25ClFNO5
Molecular Weight	461.14053 g/mol
LogP	4.6711
Topological Polar Surface Area	88.76 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	6
Exact Mass	461.14053
Monoisotopic Mass	461.14053
Heavy Atoms	32
Complexity	1245.8389

Chemical Identifiers

CAS Number	697761-99-2
SMILES	CC(C)(C)[C@@H](CO)N1C=C(C(=O)C2=C1C(=CC(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O