Ethyl 2-[6-[2-methyl-4-[3-[3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-enyl]phenyl]pentan-3-yl]phenyl]-3-pyridinyl]acetate
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Basic information
- Standard SMILES
CCOC(=O)Cc1ccc(-c2ccc(C(CC)(CC)c3ccc(C=CC(O)(C(F)(F)F)C(F)(F)F)c(C)c3)cc2C)nc1- InChIKey
KLHCLZMVERCQLB-UHFFFAOYSA-N- Molecular formula
- C33H35F6NO3
- Average molar mass
- 607.6 g/mol
- Monoisotopic mass
- 607.25211295
Names & identifiers
- Preferred name
- Ethyl 2-[6-[2-methyl-4-[3-[3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-enyl]phenyl]pentan-3-yl]phenyl]-3-pyridinyl]acetate
- IUPAC
- ethyl 2-[6-[2-methyl-4-[3-[3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-enyl]phenyl]pentan-3-yl]phenyl]-3-pyridinyl]acetate
Names & synonyms
SCHEMBL1525438
Database identifiers
- PubChem CID
- 76545463
Properties
Computed structural propertiesFilling in
- XLogP
- 9.1
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 917
Related reactions
2 records
Compound notes
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