3-[6-Chloro-7-fluoro-2-methyl-1-(1-propyl-1H-pyrazol-4-yl)-1H-indol-3-ylsulfanyl]-5-fluoro-benzoic acid ethyl ester
Basic information
- Standard SMILES
CCCn1cc(-n2c(C)c(Sc3cc(F)cc(C(=O)OCC)c3)c3ccc(Cl)c(F)c32)cn1- InChIKey
WZKITVUXWRNKRE-UHFFFAOYSA-N- Molecular formula
- C24H22ClF2N3O2S
- Average molar mass
- 490 g/mol
Names & identifiers
- Preferred name
- 3-[6-Chloro-7-fluoro-2-methyl-1-(1-propyl-1H-pyrazol-4-yl)-1H-indol-3-ylsulfanyl]-5-fluoro-benzoic acid ethyl ester
- IUPAC
- ethyl 3-[6-chloro-7-fluoro-2-methyl-1-(1-propylpyrazol-4-yl)indol-3-yl]sulfanyl-5-fluorobenzoate
Names & synonyms
SCHEMBL671363WZKITVUXWRNKRE-UHFFFAOYSA-N3-[6-Chloro-7-fluoro-2-methyl-1-(1-propyl-1H-pyrazol-4-yl)-1H-indol-3-ylsulfanyl]-5-fluoro-benzoic acid ethyl ester
Database identifiers
- PubChem CID
- 66765232
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 680
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Related reactions
1 records
Compound notes
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