Basic information
- Standard SMILES
CC1CN(C(=O)C(F)(F)F)CCc2cc(-c3c(Br)cnn3C)ccc21- InChIKey
JJBRVAFBXGGAHU-UHFFFAOYSA-N- Molecular formula
- C17H17BrF3N3O
- Average molar mass
- 416.2 g/mol
Names & identifiers
- Preferred name
- N-Trifluoroacetyl-7-(4-bromo-2-Methyl-2H-pyrazol-3-yl)-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
- IUPAC
- 1-[8-(4-bromo-1-methylpyrazol-5-yl)-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-2,2,2-trifluoroethanone
Names & synonyms
N-Trifluoroacetyl-7-(4-bromo-2-Methyl-2H-pyrazol-3-yl)-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepineSCHEMBL1094982N-Trifluoroacetyl- 7-(4-bromo-2-Methyl-2H-pyrazol-3-yl)-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepineN-Trifluoroacetyl-7-(4-bromo-2-Methyl-2H-pyrazol-3-yl)-1methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
Database identifiers
- PubChem CID
- 22292801
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 504
Related reactions
22 records
Compound notes
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