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Basic information
- CAS
53072-50-7- Standard SMILES
NC(=O)c1cc[n+](C2N=C(c3ccccc3Cl)c3cc(Cl)ccc3NC2=O)cc1.[Cl-]- InChIKey
DEVLSRYIZQUILC-UHFFFAOYSA-N- Molecular formula
- C21H15Cl3N4O2
- Average molar mass
- 461.7 g/mol
- Monoisotopic mass
- 460.026059
Names & identifiers
- Preferred name
- Pyridinium, 4-carbamoyl-1-(7-chloro-5-(2-chlorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-3-yl)-, chloride
- IUPAC
- 1-[7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridin-1-ium-4-carboxamide chloride
Names & synonyms
53072-50-7Pyridinium, 4-carbamoyl-1-(7-chloro-5-(2-chlorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-3-yl)-, chlorideRefChem:1097469
Database identifiers
- CAS
53072-50-7- PubChem CID
- 104404
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 665
Related reactions
0 records
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Compound notes
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