Basic information
- Standard SMILES
CCN1C(=O)COc2ccc(C(O)(C(C)c3ccc(-c4ccc(Cl)c(C(=O)O)c4)cc3Cl)C(F)(F)F)cc21- InChIKey
VWNGHKJWQDEOQZ-UHFFFAOYSA-N- Molecular formula
- C27H22Cl2F3NO5
- Average molar mass
- 568.4 g/mol
Names & identifiers
- Preferred name
- 4,3'-Dichloro-4'-[2-(4-ethyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-3,3,3-trifluoro-2-hydroxy-1-methyl-propyl]-biphenyl-3-carboxylic acid
- IUPAC
- 2-chloro-5-[3-chloro-4-[3-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-4,4,4-trifluoro-3-hydroxybutan-2-yl]phenyl]benzoic acid
Names & synonyms
4,3'-Dichloro-4'-[2-(4-ethyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-3,3,3-trifluoro-2-hydroxy-1-methyl-propyl]-biphenyl-3-carboxylic acidSCHEMBL474355
Database identifiers
- PubChem CID
- 66697210
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 878
Related reactions
2 records
Compound notes
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