3-Chloro-1-(4-isopropoxyphenyl)-5-(5-trifluoromethylpyrid-2-yl)-1H-indole-2-carboxylic acid
Basic information
- Standard SMILES
CC(C)Oc1ccc(-n2c(C(=O)O)c(Cl)c3cc(-c4ccc(C(F)(F)F)cn4)ccc32)cc1- InChIKey
YZJKABHVNULQLT-UHFFFAOYSA-N- Molecular formula
- C24H18ClF3N2O3
- Average molar mass
- 474.9 g/mol
- Monoisotopic mass
- 474.0958046
Names & identifiers
- Preferred name
- 3-Chloro-1-(4-isopropoxyphenyl)-5-(5-trifluoromethylpyrid-2-yl)-1H-indole-2-carboxylic acid
- IUPAC
- 3-chloro-1-(4-propan-2-yloxyphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]indole-2-carboxylic acid
Names & synonyms
3-Chloro-1-(4-isopropoxyphenyl)-5-(5-trifluoromethylpyrid-2-yl)-1H-indole-2-carboxylic acidSCHEMBL3572273
Database identifiers
- PubChem CID
- 68697213
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 686
Related reactions
2 records
Compound notes
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