1-[7-Chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridin-1-ium-4-carboxamide
Basic information
- Standard SMILES
NC(=O)c1cc[n+](C2N=C(c3ccccc3Cl)c3cc(Cl)ccc3NC2=O)cc1- InChIKey
IDUQUOQQJWHIHA-UHFFFAOYSA-O- Molecular formula
- C21H15Cl2N4O2+
- Average molar mass
- 426.3 g/mol
- Monoisotopic mass
- 425.0572061
Names & identifiers
- Preferred name
- 1-[7-Chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridin-1-ium-4-carboxamide
- IUPAC
- 1-[7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridin-1-ium-4-carboxamide
Database identifiers
- PubChem CID
- 104405
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 1
- Complexity
- 665
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…