Basic information
- Standard SMILES
CS(=O)Cc1cccc2c(C(c3ccc(F)cc3)c3ccc(Cl)c(F)c3)c[nH]c12- InChIKey
POPJSHINIBQNHM-UHFFFAOYSA-N- Molecular formula
- C23H18ClF2NOS
- Average molar mass
- 429.9 g/mol
Names & identifiers
- Preferred name
- 3-[(4-Chloro-3-fluorophenyl)(4-fluorophenyl)methyl]-7-[(methylsulfinyl)methyl]-1H-indole
- IUPAC
- 3-[(4-chloro-3-fluorophenyl)-(4-fluorophenyl)methyl]-7-(methylsulfinylmethyl)-1H-indole
Names & synonyms
SCHEMBL1350513POPJSHINIBQNHM-UHFFFAOYSA-N3-[(4-Chloro-3-fluorophenyl)(4-fluorophenyl)methyl]-7-[(methylsulfinyl)methyl]-1H-indole
Database identifiers
- PubChem CID
- 44595239
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 573
Related reactions
2 records
Compound notes
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