Basic information
- Standard SMILES
CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4C(O)C/C=C/c4cccc(C(F)(F)F)c4)cc3)cc2)CC1- InChIKey
CFAPLYJTJUZBKZ-FNORWQNLSA-N- Molecular formula
- C33H30F3NO4
- Average molar mass
- 561.6 g/mol
Names & identifiers
- Preferred name
- 1-(4'-{4-[(E)-1-Hydroxy-4-(3-trifluoromethyl-phenyl)-but-3-enyl]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-cyclopropanecarboxylic acid ethyl ester
- IUPAC
- ethyl 1-[4-[4-[4-[(E)-1-hydroxy-4-[3-(trifluoromethyl)phenyl]but-3-enyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
Names & synonyms
1-(4'-{4-[(E)-1-Hydroxy-4-(3-trifluoromethyl-phenyl)-but-3-enyl]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-cyclopropanecarboxylic acid ethyl esterSCHEMBL1401
Database identifiers
- PubChem CID
- 66577248
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 889
Related reactions
2 records
Compound notes
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