Basic information
- Standard SMILES
O=C(OC[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1)c1ccc[n+]([O-])c1- InChIKey
IFMSAXUXRGUYEG-SFTDATJTSA-N- Molecular formula
- C27H22FN7O6
- Average molar mass
- 559.5 g/mol
- Monoisotopic mass
- 559.16155961
Names & identifiers
- Preferred name
- [(5S)-3-(5-{2-fluoro-4-[(5R)-2-oxo-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl}pyridin-2-yl)-4,5-dihydroisoxazol-5-yl]methyl nicotinate 1-oxide
- IUPAC
- [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl 1-oxidopyridin-1-ium-3-carboxylate
Names & synonyms
SCHEMBL14559482IFMSAXUXRGUYEG-SFTDATJTSA-N[(5S)-3-(5-{2-fluoro-4-[(5R)-2-oxo-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl}pyridin-2-yl)-4,5-dihydroisoxazol-5-yl]methyl nicotinate 1-oxide
Database identifiers
- PubChem CID
- 58758458
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 976
Related reactions
1 records
Compound notes
Loading…