Basic information
- CAS
485380-65-2- Standard SMILES
O=C1COc2ccc(C(=O)COC(=O)Cc3ccccc3F)cc2N1- InChIKey
LWJAEKHJEUOLPW-UHFFFAOYSA-N- Molecular formula
- C18H14FNO5
- Average molar mass
- 343.3 g/mol
- Monoisotopic mass
- 343.08560071
Names & identifiers
- Preferred name
- [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(2-fluorophenyl)acetate
- IUPAC
- [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(2-fluorophenyl)acetate
Names & synonyms
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(2-fluorophenyl)acetateOprea1_221737MLS001004466CHEMBL1319240DTXSID901327359HMS2667G23AKOS033632141485380-65-2SMR000348050Z185686162-oxo-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl (2-fluorophenyl)acetate
Database identifiers
- CAS
485380-65-2- PubChem CID
- 3979894
- DTXSID
DTXSID901327359- ChEMBL
CHEMBL1319240
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 526
Experimental & physicochemical properties
Solubility24 [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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