3-Cyclopentyl-2-(4-methylsulfanyl-3-trifluoromethyl-phenyl)-propionic acid methyl ester
Basic information
- Standard SMILES
COC(=O)C(CC1CCCC1)c1ccc(SC)c(C(F)(F)F)c1- InChIKey
XPXDFMLFTUCLSH-UHFFFAOYSA-N- Molecular formula
- C17H21F3O2S
- Average molar mass
- 346.4 g/mol
Names & identifiers
- Preferred name
- 3-Cyclopentyl-2-(4-methylsulfanyl-3-trifluoromethyl-phenyl)-propionic acid methyl ester
- IUPAC
- methyl 3-cyclopentyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]propanoate
Names & synonyms
3-cyclopentyl-2-(4-methylsulfanyl-3-trifluoromethyl-phenyl)-propionic acid methyl esterSCHEMBL2649238
Database identifiers
- PubChem CID
- 12069502
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 394
Related reactions
14 records
Compound notes
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