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Basic information
- Standard SMILES
C#CCN1C(=O)COc2cc(F)c(-n3nc4c([n+]3[O-])CCCC4)cc21- InChIKey
VIYZVSRQJYSKDG-UHFFFAOYSA-N- Molecular formula
- C17H15FN4O3
- Average molar mass
- 342.32 g/mol
- Monoisotopic mass
- 342.11281852
Names & identifiers
- Preferred name
- 2-(7-fluoro-4-propargyl-2H-1,4-benzoxazin-3(4H)-on-6-yl)-4,5,6,7-tetrahydro-1,2,3-benzotriazole-1-oxide
- IUPAC
- 7-fluoro-6-(1-oxido-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)-4-prop-2-ynyl-1,4-benzoxazin-3-one
Names & synonyms
SCHEMBL9665867VIYZVSRQJYSKDG-UHFFFAOYSA-N2-(7-fluoro-4-propargyl-2H-1,4-benzoxazin-3(4H)-on-6-yl)-4,5,6,7-tetrahydro-1,2,3-benzotriazole-1-oxide
Database identifiers
- PubChem CID
- 14517954
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 581
Related reactions
1 records
Compound notes
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