D-Glucitol, 1,4:3,6-dianhydro-, 2,5-bis[1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylate]
Basic information
- CAS
2133859-59-1- Standard SMILES
CCn1cc(C(=O)O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3OC(=O)c2cn(CC)c3cc(N4CCNCC4)c(F)cc3c2=O)c(=O)c2cc(F)c(N3CCNCC3)cc21- InChIKey
BELSKLLKBNSOMC-IKGCPKSMSA-N- Molecular formula
- C38H42F2N6O8
- Average molar mass
- 748.8 g/mol
- Monoisotopic mass
- 748.30321864
Names & identifiers
- Preferred name
- D-Glucitol, 1,4:3,6-dianhydro-, 2,5-bis[1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylate]
- IUPAC
- [(3S,3aR,6R,6aR)-6-(1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carbonyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate
Names & synonyms
DTXSID4011063822133859-59-1D-Glucitol, 1,4:3,6-dianhydro-, 2,5-bis[1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylate]
Database identifiers
- CAS
2133859-59-1- PubChem CID
- 165367208
- DTXSID
DTXSID401106382
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 10
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,410
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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