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Basic information
- Standard SMILES
CC(=O)CSC1C2=C(CCCC2)C(=O)N1c1ccc(Cl)cc1F- InChIKey
NZKICTUMEFNTTN-UHFFFAOYSA-N- Molecular formula
- C17H17ClFNO2S
- Average molar mass
- 353.8 g/mol
Names & identifiers
- Preferred name
- 3-Acetonylthio-2-(4-chloro-2-fluorophenyl)-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one
- IUPAC
- 2-(4-chloro-2-fluorophenyl)-3-(2-oxopropylsulfanyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one
Names & synonyms
SCHEMBL11189997NZKICTUMEFNTTN-UHFFFAOYSA-N3-Acetonylthio-2-(4-chloro-2-fluorophenyl)-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one
Database identifiers
- PubChem CID
- 13257594
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 539
Related reactions
1 records
Compound notes
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