Basic information
- Standard SMILES
CCOC(=O)c1cccc(Sc2c(C)n(-c3cnn(C)c3)c3cc(Cl)ccc23)c1C- InChIKey
YICJAPGGIRQQBW-UHFFFAOYSA-N- Molecular formula
- C23H22ClN3O2S
- Average molar mass
- 440 g/mol
Names & identifiers
- Preferred name
- 3-[6-Chloro-2-methyl-1-(1-methyl-1H-pyrazol-4-yl)-1H-indol-3-ylsulfanyl]-2-methyl-benzoic acid ethyl ester
- IUPAC
- ethyl 3-[6-chloro-2-methyl-1-(1-methylpyrazol-4-yl)indol-3-yl]sulfanyl-2-methylbenzoate
Names & synonyms
SCHEMBL671435YICJAPGGIRQQBW-UHFFFAOYSA-N3-[6-Chloro-2-methyl-1-(1-methyl-1H-pyrazol-4-yl)-1H-indol-3-ylsulfanyl]-2-methyl-benzoic acid ethyl ester
Database identifiers
- PubChem CID
- 66765259
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 611
Related reactions
1 records
Compound notes
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