Basic information
- Standard SMILES
COc1c(N2CC3CCC3(N)C2)c(F)cc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12- InChIKey
OOHTYIQRSCBBSV-NOUAYQIGSA-N- Molecular formula
- C20H21F2N3O4
- Average molar mass
- 405.4 g/mol
Names & identifiers
- Preferred name
- 7-(1-Amino-3-azabicyclo[3.2.0]hept-3-yl)-6-fluoro-1-[2-(S)-fluoro-1-(R)-cyclopropyl]-8-methoxy-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
- IUPAC
- 7-(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
Names & synonyms
SCHEMBL6959271OOHTYIQRSCBBSV-NOUAYQIGSA-N7-(1-Amino-3-azabicyclo[3.2.0]hept-3-yl)-6-fluoro-1-[2-(S)-fluoro-1-(R)-cyclopropyl]-8-methoxy-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
Database identifiers
- PubChem CID
- 12972758
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 96.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 779
Related reactions
1 records
Compound notes
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