AC1NE2IU

7-[4-[(2,6-dimethoxybenzoyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

Also Known As: A2897/0122040|7-[4-[(2,6-dimethoxybenzoyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid|7-(4-((2,6-dimethoxybenzoyl)carbamothioyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid|7-(4-{[(2,6-dimethoxyphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid|7-(4-{[(2,6-DIMETHOXYPHENYL)FORMAMIDO]METHANETHIOYL}PIPERAZIN-1-YL)-1-ETHYL-6-FLUORO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID|7-[4-[(2,6-dimethoxybenzoyl)thiocarbamoyl]piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid|7-[4-[(2,6-dimethoxyphenyl)carbonylcarbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid|7-[4-[[[(2,6-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid

Molecular Formula	C26H27FN4O6S
Molecular Weight	542.1635 g/mol
LogP	2.7128
Topological Polar Surface Area	113.34 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	542.1635
Monoisotopic Mass	542.1635
Heavy Atoms	38
Complexity	1460.5703

Chemical Identifiers

CAS Number	488708-83-4
SMILES	CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C4=C(C=CC=C4OC)OC)F)C(=O)O