Basic information
- Standard SMILES
CC(C)(Cc1ccc(F)cc1)NCC(O)c1cc(O)cc2c1OCC(=O)N2- InChIKey
VIGWCKLXTREABD-UHFFFAOYSA-N- Molecular formula
- C20H23FN2O4
- Average molar mass
- 374.4 g/mol
Names & identifiers
- Preferred name
- 8-{2-[2-(4-fluorophenyl)-1,1-dimethylethylamino]-1-hydroxyethyl}-6-hydroxy-4H-benzo[1,4]oxazin-3-one
- IUPAC
- 8-[2-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one
Names & synonyms
CHEMBL600401SCHEMBL153323VIGWCKLXTREABD-UHFFFAOYSA-NBDBM503068058-{2-[2-(4-fluoro-phenyl)-1,1-dimethyl-ethylamino]-1-hydroxy-ethyl}-6-hydroxy-4H-benzo[1,4]oxazin-3-one8-{2-[2-(4-fluorophenyl)-1,1-dimethylethylamino]-1-hydroxyethyl}-6-hydroxy-4H-benzo[1,4]oxazin-3-onerac-8-(2-(1-(4-fluorophenyl)-2-methylpropan-2-ylamino)-1-hydroxyethyl)-6-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one
Database identifiers
- PubChem CID
- 11567751
- ChEMBL
CHEMBL600401
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 510
Related reactions
4 records
Compound notes
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