Basic information
- Standard SMILES
CCOC(=O)c1cccc(Sc2c(C)n(C#N)c3c(F)c(Cl)ccc23)c1- InChIKey
LJXJHNNZRAABII-UHFFFAOYSA-N- Molecular formula
- C19H14ClFN2O2S
- Average molar mass
- 388.8 g/mol
- Monoisotopic mass
- 388.0448547
Names & identifiers
- Preferred name
- 3-(6-Chloro-1-cyano-7-fluoro-2-methyl-1H-indol-3-ylsulfanyl)-benzoic acid ethyl ester
- IUPAC
- ethyl 3-(6-chloro-1-cyano-7-fluoro-2-methylindol-3-yl)sulfanylbenzoate
Names & synonyms
SCHEMBL672869LJXJHNNZRAABII-UHFFFAOYSA-N3-(6-Chloro-1-cyano-7-fluoro-2-methyl-1H-indol-3-ylsulfanyl)-benzoic acid ethyl ester
Database identifiers
- PubChem CID
- 66765645
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 571
Related reactions
2 records
Compound notes
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