Basic information
- CAS
77796-05-5- Standard SMILES
CCC(=O)OCCN1CCN(CC(=O)N2CCCC(c3ccc(F)cc3)c3ccc(F)cc32)CC1.Cl.Cl- InChIKey
FNMWGXYUFKOZRQ-UHFFFAOYSA-N- Molecular formula
- C27H35Cl2F2N3O3
- Average molar mass
- 558.5 g/mol
- Monoisotopic mass
- 557.2023537
Names & identifiers
- Preferred name
- 1H-1-Benzazepine, 2,3,4,5-tetrahydro-8-fluoro-5-(4-fluorophenyl)-1-((4-(2-(1-oxopropoxy)ethyl)-1-piperazinyl)acetyl)-, dihydrochloride
- IUPAC
- 2-[4-[2-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-oxoethyl]piperazin-1-yl]ethyl propanoate;dihydrochloride
Names & synonyms
VUFB-1412877796-05-51H-1-Benzazepine, 2,3,4,5-tetrahydro-8-fluoro-5-(4-fluorophenyl)-1-((4-(2-(1-oxopropoxy)ethyl)-1-piperazinyl)acetyl)-, dihydrochlorideRefChem:237230DTXSID209990032-(4-{2-[8-Fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]-2-oxoethyl}piperazin-1-yl)ethyl propanoate--hydrogen chloride (1/2)
Database identifiers
- CAS
77796-05-5- PubChem CID
- 53795
- DTXSID
DTXSID20999003
Properties
Computed structural properties
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 695
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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