1H-3-Benzazepin-7-ol, 8-bromo-2,3,4,5-tetrahydro-3-methyl-5-phenyl-, (S)-
Basic information
- CAS
73799-23-2- Standard SMILES
CN1CCc2cc(Br)c(O)cc2[C@H](c2ccccc2)C1- InChIKey
XFTVOHWWEQGXLS-HNNXBMFYSA-N- Molecular formula
- C17H18BrNO
- Average molar mass
- 332.2 g/mol
- Monoisotopic mass
- 331.05718
Names & identifiers
- Preferred name
- 1H-3-Benzazepin-7-ol, 8-bromo-2,3,4,5-tetrahydro-3-methyl-5-phenyl-, (S)-
- IUPAC
- (5S)-8-bromo-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
Names & synonyms
(S)-SKF-83566UNII-SGM49A83B3SGM49A83B3SKF-83566, (S)-1H-3-Benzazepin-7-ol, 8-bromo-2,3,4,5-tetrahydro-3-methyl-5-phenyl-, (S)-73799-23-2Tocris-1586CHEMBL1473849SCHEMBL11398674NCGC00025222-01PD132206Q27289201
Database identifiers
- CAS
73799-23-2- PubChem CID
- 6604885
- ChEMBL
CHEMBL1473849- UNII
- SGM49A83B3
- Nikkaji
- J407.333I
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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