Basic information
- Standard SMILES
CCc1sc(-c2ccc(C(F)(F)F)cc2)cc1C(Oc1ccc(C(=O)NCCC(=O)O)cc1)C1CCCCC1- InChIKey
GLPJLTXGSKHCMR-UHFFFAOYSA-N- Molecular formula
- C30H32F3NO4S
- Average molar mass
- 559.6 g/mol
Names & identifiers
- Preferred name
- 3-({[4-(Cyclohexyl{2-ethyl-5-[4-(trifluoromethyl)phenyl]thiophen-3-yl}methoxy)phenyl]carbonyl}amino)propanoic acid
- IUPAC
- 3-[[4-[cyclohexyl-[2-ethyl-5-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methoxy]benzoyl]amino]propanoic acid
Names & synonyms
3-({[4-(cyclohexyl{2-ethyl-5-[4-(trifluoromethyl)phenyl]thiophen-3-yl}methoxy)phenyl]carbonyl}amino)propanoic acidSCHEMBL3109044
Database identifiers
- PubChem CID
- 59529412
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 790
Related reactions
1 records
Compound notes
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