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Basic information
- Standard SMILES
C#CCn1c(=O)sc2cc(F)c(NC(=O)CC(C)=O)cc21- InChIKey
MGFLDNYZWYGPKO-UHFFFAOYSA-N- Molecular formula
- C14H11FN2O3S
- Average molar mass
- 306.31 g/mol
- Monoisotopic mass
- 306.04744155
Names & identifiers
- Preferred name
- 5-Acetoacetylamino-6-fluoro-3-(2-propynyl)-2-benzothiazolinone
- IUPAC
- N-(6-fluoro-2-oxo-3-prop-2-ynyl-1,3-benzothiazol-5-yl)-3-oxobutanamide
Names & synonyms
SCHEMBL9479007MGFLDNYZWYGPKO-UHFFFAOYSA-N5-acetoacetylamino-6-fluoro-3-(2-propynyl)-2-benzothiazolinone
Database identifiers
- PubChem CID
- 19745809
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 516
Related reactions
1 records
Compound notes
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