5H-Dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-10-(2-(dimethylamino)ethyl)-8-trifluoromethyl-, hydrochloride
Basic information
- CAS
78110-20-0- Standard SMILES
C[NH+](C)CCN1C(=O)c2ccccc2Nc2ccc(C(F)(F)F)cc21.[Cl-]- InChIKey
WQCCTIOYIIMUFS-UHFFFAOYSA-N- Molecular formula
- C18H19ClF3N3O
- Average molar mass
- 385.8 g/mol
- Monoisotopic mass
- 385.1168744
Names & identifiers
- Preferred name
- 5H-Dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-10-(2-(dimethylamino)ethyl)-8-trifluoromethyl-, hydrochloride
- IUPAC
- dimethyl-[2-[6-oxo-3-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-5-yl]ethyl]azanium chloride
Names & synonyms
78110-20-05H-Dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-10-(2-(dimethylamino)ethyl)-8-trifluoromethyl-, hydrochlorideRefChem:305606
Database identifiers
- CAS
78110-20-0- PubChem CID
- 54103
Properties
Computed structural properties
- Topological polar surface area
- 36.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 483
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Compound notes
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