Basic information
- CAS
77796-06-6- Standard SMILES
CN1CCN(CCN2CCCC(c3ccc(F)cc3)c3ccc(F)cc32)CC1.Cl.Cl- InChIKey
JRCVHYZFJZMHRU-UHFFFAOYSA-N- Molecular formula
- C23H31Cl2F2N3
- Average molar mass
- 458.4 g/mol
- Monoisotopic mass
- 457.1863097
Names & identifiers
- Preferred name
- 1H-1-Benzazepine, 2,3,4,5-tetrahydro-8-fluoro-5-(4-fluorophenyl)-1-(2-(4-methyl-1-piperazinyl)ethyl)-, dihydrochloride
- IUPAC
- 8-fluoro-5-(4-fluorophenyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,4,5-tetrahydro-1-benzazepine;dihydrochloride
Names & synonyms
VUFB-1404277796-06-61H-1-Benzazepine, 2,3,4,5-tetrahydro-8-fluoro-5-(4-fluorophenyl)-1-(2-(4-methyl-1-piperazinyl)ethyl)-, dihydrochlorideRefChem:237236DTXSID809990048-Fluoro-5-(4-fluorophenyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3,4,5-tetrahydro-1H-1-benzazepine--hydrogen chloride (1/2)
Database identifiers
- CAS
77796-06-6- PubChem CID
- 53797
- DTXSID
DTXSID80999004
Properties
Computed structural properties
- Topological polar surface area
- 9.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 474
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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