Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(NC2CCN(C(=S)CCCN3CCN(c4ccc(C(F)(F)F)cc4)CC3)CC2)cc1C(F)(F)F- InChIKey
IREOELFDUGGTRG-UHFFFAOYSA-N- Molecular formula
- C28H34F6N4O2S2
- Average molar mass
- 636.7 g/mol
Names & identifiers
- Preferred name
- 1-[4-(4-Methanesulfonyl-3-trifluoromethyl-phenylamino)-piperidin-1-yl]-4-[4-(4-trifluoromethyl-phenyl)-piperazin-1-yl]-butane-1-thione
- IUPAC
- 1-[4-[4-methylsulfonyl-3-(trifluoromethyl)anilino]piperidin-1-yl]-4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butane-1-thione
Names & synonyms
1-[4-(4-methanesulfonyl-3-trifluoromethyl-phenylamino)-piperidin-1-yl]-4-[4-(4-trifluoromethyl-phenyl)-piperazin-1-yl]-butane-1-thioneSCHEMBL9985148
Database identifiers
- PubChem CID
- 58576331
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 982
Related reactions
1 records
Compound notes
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