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Basic information
- Standard SMILES
CSC1C2=C(CCCC2)C(=O)N1c1ccc(Cl)cc1F- InChIKey
ROWOTLMWWXHIJP-UHFFFAOYSA-N- Molecular formula
- C15H15ClFNOS
- Average molar mass
- 311.8 g/mol
Names & identifiers
- Preferred name
- 2-(4-Chloro-2-fluorophenyl)-2,3,4,5,6,7-hexahydro-3-methylthio-1H-isoindol-1-one
- IUPAC
- 2-(4-chloro-2-fluorophenyl)-3-methylsulfanyl-4,5,6,7-tetrahydro-3H-isoindol-1-one
Names & synonyms
SCHEMBL11191004ROWOTLMWWXHIJP-UHFFFAOYSA-N2-(4-Chloro-2-fluorophenyl)-2,3,4,5,6,7-hexahydro-3-methylthio-1H-isoindol-1-one
Database identifiers
- PubChem CID
- 13257593
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 442
Related reactions
2 records
Compound notes
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