Basic information
- CAS
461437-58-1- Standard SMILES
CCc1cc2c(=O)oc(-c3ccccc3F)nc2s1- InChIKey
BRMARZZSMYAONH-UHFFFAOYSA-N- Molecular formula
- C14H10FNO2S
- Average molar mass
- 275.3 g/mol
- Monoisotopic mass
- 275.0416279
Names & identifiers
- Preferred name
- 6-Ethyl-2-(2-fluorophenyl)thieno[2,3-d][1,3]oxazin-4-one
- IUPAC
- 6-ethyl-2-(2-fluorophenyl)thieno[2,3-d][1,3]oxazin-4-one
Names & synonyms
6-ethyl-2-(2-fluorophenyl)thieno[2,3-d][1,3]oxazin-4-one461437-58-16-ethyl-2-(2-fluorophenyl)-4H-thieno[2,3-d][1,3]oxazin-4-one6-Ethyl-2-(2-fluoro-phenyl)-thieno[2,3-d][1,3]oxazin-4-oneMLS001207051SCHEMBL915807CHEMBL1557304DTXSID001327340HMS2836D23CCG-22063STL259732AKOS000676353
Show more names
EBC-166021WAY-348385SMR000523498EU-0013768ST50279135Z55933866
Database identifiers
- CAS
461437-58-1- PubChem CID
- 705245
- DTXSID
DTXSID001327340- ChEMBL
CHEMBL1557304
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 401
Experimental & physicochemical properties
Solubility0.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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