Basic information
- Standard SMILES
O=C(N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)N1CCOc2ccc(Br)cc2C1- InChIKey
JADJFCWHKMXKTD-UHFFFAOYSA-N- Molecular formula
- C22H22BrF3N2O3
- Average molar mass
- 499.3 g/mol
Names & identifiers
- Preferred name
- 1-[(7-bromo-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)carbonyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
- IUPAC
- (7-bromo-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
Names & synonyms
1-[(7-bromo-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)carbonyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-olSCHEMBL6120440
Database identifiers
- PubChem CID
- 69672299
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 642
Related reactions
2 records
Compound notes
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