Basic information
- Standard SMILES
CCOC(=O)c1cc(Br)cc(Sc2c(C)n(-c3cnn(CC)c3)c3cc(Cl)ccc23)c1- InChIKey
ZFSDXAWSUFYEJE-UHFFFAOYSA-N- Molecular formula
- C23H21BrClN3O2S
- Average molar mass
- 518.9 g/mol
Names & identifiers
- Preferred name
- 3-Bromo-5-[6-chloro-1-(1-ethyl-1H-pyrazol-4-yl)-2-methyl-1H-indol-3-ylsulfanyl]-benzoic acid ethyl ester
- IUPAC
- ethyl 3-bromo-5-[6-chloro-1-(1-ethylpyrazol-4-yl)-2-methylindol-3-yl]sulfanylbenzoate
Names & synonyms
SCHEMBL671701ZFSDXAWSUFYEJE-UHFFFAOYSA-N3-Bromo-5-[6-chloro-1-(1-ethyl-1H-pyrazol-4-yl)-2-methyl-1H-indol-3-ylsulfanyl]-benzoic acid ethyl ester
Database identifiers
- PubChem CID
- 66765335
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 632
Related reactions
1 records
Compound notes
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