Basic information
- Standard SMILES
Cn1nc(C(F)(F)F)cc1COc1cc(C(F)(F)F)c2c(CC(=O)O)csc2c1- InChIKey
JCZMWHDNTONIAU-UHFFFAOYSA-N- Molecular formula
- C17H12F6N2O3S
- Average molar mass
- 438.3 g/mol
Names & identifiers
- Preferred name
- (6-((1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)methoxy)-4-(trifluoromethyl)-1-benzothiophen-3-yl)acetic acid
- IUPAC
- 2-[6-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-4-(trifluoromethyl)-1-benzothiophen-3-yl]acetic acid
Names & synonyms
(6-((1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)methoxy)-4-(trifluoromethyl)-1-benzothiophen-3-yl)acetic acidCHEMBL5078841SCHEMBL15212695
Database identifiers
- PubChem CID
- 89768892
- ChEMBL
CHEMBL5078841
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 92.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 605
Related reactions
1 records
Compound notes
Loading…