Basic information
- Standard SMILES
CC(c1ccc(-c2ccccc2C(=O)O)cc1Cl)C(O)(c1ccc2c(c1)N(C)C(=O)CO2)C(F)(F)F- InChIKey
HBOZEUAJWXVMBW-UHFFFAOYSA-N- Molecular formula
- C26H21ClF3NO5
- Average molar mass
- 519.9 g/mol
Names & identifiers
- Preferred name
- 3'-Chloro-4'-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(4-methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-propyl]-biphenyl-2-carboxylic acid
- IUPAC
- 2-[3-chloro-4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butan-2-yl]phenyl]benzoic acid
Names & synonyms
3'-Chloro-4'-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(4-methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-propyl]-biphenyl-2-carboxylic acidSCHEMBL474579
Database identifiers
- PubChem CID
- 66697353
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 828
Related reactions
3 records
Compound notes
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