Basic information
- Standard SMILES
FC(F)(F)c1ccc(CCN2CCC(C3Oc4ccccc4Cn4cccc43)CC2)cc1- InChIKey
NNWLUOMXENAKCU-UHFFFAOYSA-N- Molecular formula
- C26H27F3N2O
- Average molar mass
- 440.5 g/mol
Names & identifiers
- Preferred name
- 11-{1-[2-(4-Trifluoromethylphenyl)ethyl]piperidin-4-yl}-5H,11H-pyrrolo[2,1-c][1,4]benzoxazepine
- IUPAC
- 6-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-6,11-dihydropyrrolo[2,1-c][1,4]benzoxazepine
Names & synonyms
11-{1-[2-(4-Trifluoromethylphenyl)ethyl]piperidin-4-yl}-5H,11H-pyrrolo[2,1-c][1,4]benzoxazepineSCHEMBL10500733
Database identifiers
- PubChem CID
- 13689409
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 17.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 598
Related reactions
4 records
Compound notes
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