Basic information
- Standard SMILES
O=C(O)CCN1CCN(c2ccc(COc3ccc(C4CCCCC4)c(C(F)(F)F)c3)nc2)CC1- InChIKey
NSVOYJBLEPXEDK-UHFFFAOYSA-N- Molecular formula
- C26H32F3N3O3
- Average molar mass
- 491.5 g/mol
Names & identifiers
- Preferred name
- 3-{4-[6-(4-Cyclohexyl-3-trifluoromethyl-phenoxymethyl)-pyridin-3-yl]-piperazin-1-yl}-propionic acid
- IUPAC
- 3-[4-[6-[[4-cyclohexyl-3-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]piperazin-1-yl]propanoic acid
Names & synonyms
3-{4-[6-(4-Cyclohexyl-3-trifluoromethyl-phenoxymethyl)-pyridin-3-yl]-piperazin-1-yl}-propionic acidSCHEMBL3850654
Database identifiers
- PubChem CID
- 11620146
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 65.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 666
Related reactions
1 records
Compound notes
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