Basic information
- CAS
1959-19-9- Standard SMILES
C[NH+](C)CCN1C(=O)C[NH+]=C(c2ccccc2)c2cc(C(F)(F)F)ccc21.[Cl-].[Cl-]- InChIKey
PSUPORXCGKAVFW-UHFFFAOYSA-N- Molecular formula
- C20H22Cl2F3N3O
- Average molar mass
- 448.3 g/mol
- Monoisotopic mass
- 447.1092022
Names & identifiers
- Preferred name
- 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-1-(2-(dimethylamino)ethyl)-5-phenyl-7-(trifluoromethyl)-, dihydrochloride
- IUPAC
- dimethyl-[2-[2-oxo-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-4-ium-1-yl]ethyl]azanium dichloride
Names & synonyms
1959-19-92H-1,4-Benzodiazepin-2-one, 1,3-dihydro-1-(2-(dimethylamino)ethyl)-5-phenyl-7-(trifluoromethyl)-, dihydrochlorideRefChem:267860
Database identifiers
- CAS
1959-19-9- PubChem CID
- 16062
Properties
Computed structural properties
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 555
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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