Basic information
- CAS
336879-89-1- Standard SMILES
O=C([O-])c1cn(C2CC2)c2cc(N3CCN(C(=S)[S-])CC3)c(F)cc2c1=O- InChIKey
PLRXFUMGHNAKOJ-UHFFFAOYSA-L- Molecular formula
- C18H16FN3O3S2-2
- Average molar mass
- 405.5 g/mol
- Monoisotopic mass
- 405.06171189
Names & identifiers
- Preferred name
- [4-(3-Carboxylato-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-YL)piperazine-1-carbothioyl]sulfanide
- IUPAC
- 1-cyclopropyl-6-fluoro-4-oxo-7-(4-sulfidocarbothioylpiperazin-1-yl)quinoline-3-carboxylate
- English name
- 1-cyclopropyl-7-(4-dithiocarboxylatopiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
- Molecular formula
- C18H16FN3O3S2(-2)
- Molecular weight
- 405.46
Names & synonyms
HMS1543J06MFCD01820944AKOS001727145ST045951[4-(3-CARBOXYLATO-1-CYCLOPROPYL-6-FLUORO-4-OXO-1,4-DIHYDROQUINOLIN-7-YL)PIPERAZINE-1-CARBOTHIOYL]SULFANIDE1-cyclopropyl-7-(4-dithiocarboxypiperazinyl)-6-fluoro-4-oxohydroquinoline-3-ca rboxylic acid1-cyclopropyl-7-(4-dithiocarboxylatopiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate1-cyclopropyl-7-[4-(dithiocarboxy)-1-piperazinyl]-6-fluoro-1,4-dihydro-4-oxo-3-Quinolinecarboxylic acid ion(2-) (9CI ACI)3-Quinolinecarboxylic acid, 1-cyclopropyl-7-[4-(dithiocarboxy)-1-piperazinyl]-6-fluoro-1,4-dihydro-4-oxo-, ion(2-) (9CI, ACI)
Database identifiers
- CAS
336879-89-1- PubChem CID
- 1274097
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- -2
- Complexity
- 680
Chemistry & industry
Suppliers1 total
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…