Basic information
- CAS
116143-32-9- Standard SMILES
CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CC4CC3CN4)nc21- InChIKey
KNHLHFDFFDCJJR-UHFFFAOYSA-N- Molecular formula
- C18H21FN4O3
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.15976871
Names & identifiers
- Preferred name
- 1-Tert-butyl-7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
- IUPAC
- 1-tert-butyl-7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Names & synonyms
1-tert-butyl-7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid1,8-Naphthyridine-3-carboxylic acid, 7-(2,5-diazabicyclo[2.2.1]hept-2-yl)-1-(1,1-dimethylethyl)-6-fluoro-1,4-dihydro-4-oxo-CHEMBL283387SCHEMBL10073771DTXSID20875050OXONAPHTHYRIDINECARBOXYLIC ACID,7-(2,5-DIAZABICY1-tert-Butyl-7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
Database identifiers
- CAS
116143-32-9- PubChem CID
- 488332
- DTXSID
DTXSID20875050- ChEMBL
CHEMBL283387- Nikkaji
- J600.674D
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 661
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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