Basic information
- CAS
77795-94-9- Standard SMILES
CC[NH+](CC)CC(=O)N1CCCC(c2ccc(F)cc2)c2ccc(F)cc21.O=C([O-])C(=O)O- InChIKey
FOUVWZBUTXSEJY-UHFFFAOYSA-N- Molecular formula
- C24H28F2N2O5
- Average molar mass
- 462.5 g/mol
- Monoisotopic mass
- 462.19662832
Names & identifiers
- Preferred name
- 1H-1-Benzazepine, 2,3,4,5-tetrahydro-1-((diethylamino)acetyl)-8-fluoro-5-(4-fluorophenyl)-, ethanedioate (1:1)
- IUPAC
- diethyl-[2-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-oxoethyl]azanium;2-hydroxy-2-oxoacetate
Names & synonyms
VUFB-1406377795-94-91H-1-Benzazepine, 2,3,4,5-tetrahydro-1-((diethylamino)acetyl)-8-fluoro-5-(4-fluorophenyl)-, ethanedioate (1:1)RefChem:237224
Database identifiers
- CAS
77795-94-9- PubChem CID
- 53783
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 555
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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