Basic information
- CAS
182868-99-1- Standard SMILES
C[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)C)C[C@H](C)N1- InChIKey
OEDVZYKCNVQWEL-PHIMTYICSA-N- Molecular formula
- C19H25FN4O3
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.19106883
Names & identifiers
- Preferred name
- 1-Tert-butyl-7-(3,5-dimethyl-piperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydro-(1,8)naphthyridine-3-carboxylic acid
- IUPAC
- 1-tert-butyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Names & synonyms
PD 163049182868-99-11-tert-butyl-7-(3,5-dimethyl-piperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydro-(1,8)naphthyridine-3-carboxylic acidNSC 7425611-tert-butyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acidNSC7425611-tert-butyl-7-(3,5-dimethyl-piperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acidDTXSID50171350CID 4599711,8-Naphthyridine-3-carboxylic acid, 1-(1,1-dimethylethyl)-7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-1-tert-Butyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
Database identifiers
- CAS
182868-99-1- PubChem CID
- 459971
- DTXSID
DTXSID50171350
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 637
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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