AC1NEMHS

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

Also Known As: Oprea1_599224|SR-01000448085-1|7-(4-((3,4-dimethoxybenzoyl)carbamothioyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid|7-(4-{[(3,4-DIMETHOXYBENZOYL)AMINO]CARBOTHIOYL}PIPERAZINO)-1-ETHYL-6-FLUORO-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXYLIC ACID|7-(4-{[(3,4-dimethoxyphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid|7-[4-[(3,4-dimethoxybenzoyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic 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	1482.8203

Chemical Identifiers

CAS Number	352646-75-4
SMILES	CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC(=C(C=C4)OC)OC)F)C(=O)O