Basic information
- Standard SMILES
CCc1sc(-c2ccc(C(F)(F)F)cc2)cc1C(Oc1ccc(C(=O)N(C)CCC(=O)O)cc1)C1CCCCC1- InChIKey
KXNXWPDVZCAHCC-UHFFFAOYSA-N- Molecular formula
- C31H34F3NO4S
- Average molar mass
- 573.7 g/mol
Names & identifiers
- Preferred name
- 3-[{[4-(Cyclohexyl{2-ethyl-5-[4-(trifluoromethyl)phenyl]thiophen-3-yl}methoxy)phenyl]carbonyl}(methyl)amino]propanoic acid
- IUPAC
- 3-[[4-[cyclohexyl-[2-ethyl-5-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methoxy]benzoyl]-methylamino]propanoic acid
Names & synonyms
3-[{[4-(cyclohexyl{2-ethyl-5-[4-(trifluoromethyl)phenyl]thiophen-3-yl}methoxy)phenyl]carbonyl}(methyl)amino]propanoic acidSCHEMBL3107556
Database identifiers
- PubChem CID
- 59529470
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 820
Related reactions
1 records
Compound notes
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