Basic information
- Standard SMILES
O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1- InChIKey
LFDQYCBRZFTUGZ-UHFFFAOYSA-N- Molecular formula
- C30H35F3N2O2
- Average molar mass
- 512.6 g/mol
- Monoisotopic mass
- 512.26506285
Names & identifiers
- Preferred name
- 2-(4-(Adamantan-1-yl)phenoxy)-1-(4-(4-(trifluoromethyl)benzyl)piperazin-1-yl) ethanone
- IUPAC
- 2-[4-(1-adamantyl)phenoxy]-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
Names & synonyms
2-(4-(adamantan-1-yl)phenoxy)-1-(4-(4-(trifluoromethyl)benzyl)piperazin-1-yl) ethanoneSCHEMBL148290672-(4-(adamantan-1-yl)phenoxy)-1-(4-(4-(trifluoromethyl)benzyl)piperazin-1-yl)ethanone
Database identifiers
- PubChem CID
- 71542289
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 752
Related reactions
1 records
Compound notes
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