Basic information
- CAS
77796-02-2- Standard SMILES
CN1CCN(CC(=O)N2CCCC(c3ccc(F)cc3)c3ccc(F)cc32)CC1.Cl.Cl- InChIKey
BNMNXDJWGFKVJL-UHFFFAOYSA-N- Molecular formula
- C23H29Cl2F2N3O
- Average molar mass
- 472.4 g/mol
- Monoisotopic mass
- 471.1655743
Names & identifiers
- Preferred name
- 1H-1-Benzazepine, 2,3,4,5-tetrahydro-8-fluoro-5-(4-fluorophenyl)-1-((4-methyl-1-piperazinyl)acetyl)-, dihydrochloride
- IUPAC
- 1-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone;dihydrochloride
Names & synonyms
VUFB-1404177796-02-21H-1-Benzazepine, 2,3,4,5-tetrahydro-8-fluoro-5-(4-fluorophenyl)-1-((4-methyl-1-piperazinyl)acetyl)-, dihydrochlorideRefChem:237232DTXSID009990011-[8-Fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]-2-(4-methylpiperazin-1-yl)ethan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
77796-02-2- PubChem CID
- 53791
- DTXSID
DTXSID00999001
Properties
Computed structural properties
- Topological polar surface area
- 26.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 546
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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