Basic information
- CAS
4466-96-0- Standard SMILES
C[NH+](C)CCCN1C(=O)C[NH+]=C(c2ccccn2)c2cc(Br)ccc21.[Cl-].[Cl-]- InChIKey
GPMIKQCOOHXHDK-UHFFFAOYSA-N- Molecular formula
- C19H23BrCl2N4O
- Average molar mass
- 474.2 g/mol
- Monoisotopic mass
- 472.04323
Names & identifiers
- Preferred name
- 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-bromo-1-(3-(dimethylamino)propyl)-5-(2-pyridyl)-, dihydrochloride
- IUPAC
- 3-(7-bromo-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-4-ium-1-yl)propyl-dimethylazanium dichloride
Names & synonyms
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-bromo-1-(3-(dimethylamino)propyl)-5-(2-pyridyl)-, dihydrochloride4466-96-07-Bromo-1-(3-(dimethylamino)propyl)-1,3-dihydro-5-(2-pyridyl)-2H-1,4-benzodiazepin-2-one 2HClRefChem:267866
Database identifiers
- CAS
4466-96-0- PubChem CID
- 20538
Properties
Computed structural properties
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 496
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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