Basic information
- CAS
143383-20-4- Standard SMILES
C[C@H](N)[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1- InChIKey
VMHBXZLMBJVYFA-WDEREUQCSA-N- Molecular formula
- C21H19F3N4O3
- Average molar mass
- 432.4 g/mol
- Monoisotopic mass
- 432.14092497
Names & identifiers
- Preferred name
- (S-(R,S))-7-(3-(1-Aminoethyl)-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid
- IUPAC
- 7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Names & synonyms
(S-(R,S))-7-(3-(1-Aminoethyl)-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid143383-20-4SCHEMBL3062927SCHEMBL293905257-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Database identifiers
- CAS
143383-20-4- PubChem CID
- 9889017
- Nikkaji
- J522.290G
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 753
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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