Basic information
- Standard SMILES
O=C(NCC(F)(F)F)C1(CCCCBr)c2ccccc2Sc2ccccc21- InChIKey
KMMVCKMZXGEAPP-UHFFFAOYSA-N- Molecular formula
- C20H19BrF3NOS
- Average molar mass
- 458.3 g/mol
Names & identifiers
- Preferred name
- 4-[9-(2,2,2-Trifluoroethylcarbamoyl)-9H-thioxanthen-9-yl]butyl bromide
- IUPAC
- 9-(4-bromobutyl)-N-(2,2,2-trifluoroethyl)thioxanthene-9-carboxamide
Names & synonyms
4-[9-(2,2,2-Trifluoroethylcarbamoyl)-9H-thioxanthen-9-yl]butyl bromideSCHEMBL5863586
Database identifiers
- PubChem CID
- 22180397
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 494
Related reactions
6 records
Compound notes
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