2-(Azepan-1-yl)-1-(4-bromophenyl)-2-phenylethan-1-one
Basic information
- CAS
88675-47-2- Standard SMILES
O=C(c1ccc(Br)cc1)C(c1ccccc1)N1CCCCCC1- InChIKey
UEXFOHZJSAOAAH-UHFFFAOYSA-N- Molecular formula
- C20H22BrNO
- Average molar mass
- 372.3 g/mol
- Monoisotopic mass
- 371.08848
Names & identifiers
- Preferred name
- 2-(Azepan-1-yl)-1-(4-bromophenyl)-2-phenylethan-1-one
- IUPAC
- 2-(azepan-1-yl)-1-(4-bromophenyl)-2-phenylethanone
Names & synonyms
88675-47-2Ethanone, 1-(4-bromophenyl)-2-(hexahydro-1H-azepin-1-yl)-2-phenyl-2-(azepan-1-yl)-1-(4-bromophenyl)-2-phenylethanone2-(Azepan-1-yl)-1-(4-bromophenyl)-2-phenylethan-1-oneSCHEMBL6201736DTXSID50741118AG-690/341520052-(1-azepanyl)-1-(4-bromophenyl)-2-phenylethanone
Database identifiers
- CAS
88675-47-2- PubChem CID
- 69701727
- DTXSID
DTXSID50741118
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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