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Basic information
- Standard SMILES
Cc1cn(CC2CCCCC2)c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O- InChIKey
LLCSCOHPELBEFL-UHFFFAOYSA-N- Molecular formula
- C27H37F3N4O3
- Average molar mass
- 522.6 g/mol
- Monoisotopic mass
- 522.28177554
Names & identifiers
- Preferred name
- 1-(Cyclohexylmethyl)-5-methyl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrimidine-2,4-dione
- IUPAC
- 1-(cyclohexylmethyl)-5-methyl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrimidine-2,4-dione
Names & synonyms
LLCSCOHPELBEFL-UHFFFAOYSA-N1-(cyclohexylmethyl)-5-methyl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrimidine-2,4-dione
Database identifiers
- PubChem CID
- 70201190
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 807
Related reactions
1 records
Compound notes
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