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Basic information
- Standard SMILES
CCOC(=O)C1=NN2c3cc(F)ccc3OC[C@@H]2[C@@H]1c1ccccc1- InChIKey
DVIBPHWORAUCIT-WBVHZDCISA-N- Molecular formula
- C19H17FN2O3
- Average molar mass
- 340.3 g/mol
- Monoisotopic mass
- 340.12232057
Names & identifiers
- Preferred name
- trans-Ethyl 8-fluoro-3-phenyl-3a,4-dihydro-3h-pyrazolo[5,1-c][1,4]benzoxazine-2-carboxylate
- IUPAC
- ethyl (3S,3aS)-8-fluoro-3-phenyl-3a,4-dihydro-3H-pyrazolo[5,1-c][1,4]benzoxazine-2-carboxylate
Names & synonyms
DVIBPHWORAUCIT-WBVHZDCISA-Ntrans-ethyl 8-fluoro-3-phenyl-3a,4-dihydro-3h-pyrazolo[5,1-c][1,4]benzoxazine-2-carboxylate
Database identifiers
- PubChem CID
- 91552591
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 535
Related reactions
2 records
Compound notes
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