3-(3-{4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl}propyl)-6-methyl-2,4(1H,3H)-pyrimidinedione hydrochloride
Basic information
- Standard SMILES
Cc1cc(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c(=O)[nH]1.Cl- InChIKey
MRFKIRFLQOAZMB-UHFFFAOYSA-N- Molecular formula
- C20H26ClF3N4O3
- Average molar mass
- 462.9 g/mol
Names & identifiers
- Preferred name
- 3-(3-{4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl}propyl)-6-methyl-2,4(1H,3H)-pyrimidinedione hydrochloride
- IUPAC
- 6-methyl-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione;hydrochloride
Names & synonyms
3-(3-{4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl}propyl)-6-methyl-2,4(1H,3H)-pyrimidinedione hydrochlorideSCHEMBL7832454
Database identifiers
- PubChem CID
- 70201617
Properties
Computed structural properties
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 648
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Related reactions
1 records
Compound notes
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