Basic information
- CAS
187235-56-9- Standard SMILES
O=[N+]([O-])c1cn2c(n1)OC[C@H](OCc1ccc(C(F)(F)F)cc1)C2- InChIKey
SGJBPETWYLMWNC-LLVKDONJSA-N- Molecular formula
- C14H12F3N3O4
- Average molar mass
- 343.26 g/mol
- Monoisotopic mass
- 343.07799036
Names & identifiers
- Preferred name
- (R)-2-Nitro-6-(4-trifluoromethylbenzyloxy)-6,7-dihydro-5H-imidazo(2,1-b)(1,3)oxazine'
- IUPAC
- (6R)-2-nitro-6-[[4-(trifluoromethyl)phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
Names & synonyms
187235-56-9PA-685(R)-2-Nitro-6-((4-(trifluoromethyl)benzyl)oxy)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine(R)-2-Nitro-6-(4-trifluoromethylbenzyloxy)-6,7-dihydro-5H-imidazo(2,1-b)(1,3)oxazine'(6R)-2-nitro-6-[[4-(trifluoromethyl)phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine(R)-2-Nitro-6-(4-trifluoromethylbenzyloxy)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine'(6R)-2-Nitro-6-{[4-(trifluoromethyl)phenyl]methoxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazineCHEMBL4746300SCHEMBL29765481DTXSID70172026
Database identifiers
- CAS
187235-56-9- PubChem CID
- 476509
- DTXSID
DTXSID70172026- ChEMBL
CHEMBL4746300
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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