Basic information
- Standard SMILES
Cc1nc(C(F)(F)F)ccc1COc1cc(Cl)c2c(CC(=O)O)csc2c1- InChIKey
IXAAPJMGWLXOIL-UHFFFAOYSA-N- Molecular formula
- C18H13ClF3NO3S
- Average molar mass
- 415.8 g/mol
Names & identifiers
- Preferred name
- Goat-IN-1
- IUPAC
- 2-[4-chloro-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzothiophen-3-yl]acetic acid
Names & synonyms
GOAT-IN-11452473-54-9(4-Chloro-6-((2-methyl-6-(trifluoromethyl)pyridin-3-yl)methoxy)-1-benzothiophen-3-yl)acetic acidC18H13ClF3NO3Sorb1709564CHEMBL5088394SCHEMBL15211217CIC47354AKOS040733294DA-53670MS-27229HY-103479
Show more names
CS-0027983G16499T114482-(4-Chloro-6-((2-methyl-6-(trifluoromethyl)pyridin-3-yl)methoxy)benzo[b]thiophen-3-yl)acetic acid2-[4-chloro-6-[[2-methyl-6-(trifluoromethyl)-3-pyridyl]methoxy]benzothiophen-3-yl]acetic acid
Database identifiers
- PubChem CID
- 89767718
- ChEMBL
CHEMBL5088394
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 538
Related reactions
1 records
Compound notes
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