Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)nc(N3CCN(C(=O)c4cccs4)CC3)c2-c2ccccc2)cc1- InChIKey
JPLMLLKUSHGWES-UHFFFAOYSA-N- Molecular formula
- C27H23F3N4O3S2
- Average molar mass
- 572.6 g/mol
Names & identifiers
- Preferred name
- 6-[4-(Methylsulfonyl)phenyl]-5-phenyl-4-[4-(2-thienyl carbonyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine
- IUPAC
- [4-[6-(4-methylsulfonylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
Names & synonyms
6-[4-(methylsulfonyl)phenyl]-5-phenyl-4-[4-(2-thienyl carbonyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidineSCHEMBL2084921
Database identifiers
- PubChem CID
- 58089388
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 941
Related reactions
5 records
Compound notes
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