(R)-2-bromo-1-(4-{4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenyl}-2-methylpiperazin-1-yl)ethanone
Basic information
- Standard SMILES
CCCc1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)ccc1N1CCN(C(=O)CBr)[C@H](C)C1- InChIKey
NYCDCLRHWGWGSY-CQSZACIVSA-N- Molecular formula
- C21H27BrF6N2O3
- Average molar mass
- 549.3 g/mol
- Monoisotopic mass
- 548.11092
Names & identifiers
- Preferred name
- (R)-2-bromo-1-(4-{4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenyl}-2-methylpiperazin-1-yl)ethanone
- IUPAC
- 2-bromo-1-[(2R)-4-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenyl]-2-methylpiperazin-1-yl]ethanone
Names & synonyms
(R)-2-bromo-1-(4-{4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenyl}-2-methylpiperazin-1-yl)ethanoneSCHEMBL103944
Database identifiers
- PubChem CID
- 86647206
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 634
Related reactions
3 records
Compound notes
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