Basic information
- Standard SMILES
CCOC(=O)c1cccc(Sc2c(C)[nH]c3c(F)c(Cl)ccc23)c1- InChIKey
CIHGHWLRBCHFAN-UHFFFAOYSA-N- Molecular formula
- C18H15ClFNO2S
- Average molar mass
- 363.8 g/mol
Names & identifiers
- Preferred name
- 3-(6-Chloro-7-fluoro-2-methyl-1H-indol-3-ylsulfanyl)-benzoic acid ethyl ester
- IUPAC
- ethyl 3-[(6-chloro-7-fluoro-2-methyl-1H-indol-3-yl)sulfanyl]benzoate
Names & synonyms
SCHEMBL672285CIHGHWLRBCHFAN-UHFFFAOYSA-N3-(6-Chloro-7-fluoro-2-methyl-1H-indol-3-ylsulfanyl)-benzoic acid ethyl ester
Database identifiers
- PubChem CID
- 66765504
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 455
Related reactions
8 records
Compound notes
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