Basic information
- Standard SMILES
CCOC(=O)c1cccc(Sc2c(Br)n(-c3cccnc3)c3c(F)c(Cl)ccc23)c1F- InChIKey
XIONPTXCOGXJBZ-UHFFFAOYSA-N- Molecular formula
- C22H14BrClF2N2O2S
- Average molar mass
- 523.8 g/mol
Names & identifiers
- Preferred name
- Synthesis of 34(2-bromo-6-chloro-7-fluoro-1-(pyridin-3-yl)-1H-indol-3-yl)thio)-2-fluorobenzoic acid
- IUPAC
- ethyl 3-(2-bromo-6-chloro-7-fluoro-1-pyridin-3-ylindol-3-yl)sulfanyl-2-fluorobenzoate
Names & synonyms
CHEMBL6048781SCHEMBL16739486XIONPTXCOGXJBZ-UHFFFAOYSA-NBDBM555300US11344533, Compound 2-2ethyl 3-((2-bromo-6-chloro-7-fluoro-1-(pyridin-3-yl)-1H-indol-3-yl)thio)-2-fluorobenzoateSynthesis of 34(2-bromo-6-chloro-7-fluoro-1-(pyridin-3-yl)-1H-indol-3-yl)thio)-2-fluorobenzoic acid
Database identifiers
- PubChem CID
- 118094271
- ChEMBL
CHEMBL6048781
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 638
Related reactions
2 records
Compound notes
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