Basic information
- CAS
27016-91-7- Standard SMILES
CNC(=O)N1C(=O)CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc21- InChIKey
PDLWQTVMGHECQL-UHFFFAOYSA-N- Molecular formula
- C17H14N4O4
- Average molar mass
- 338.32 g/mol
- Monoisotopic mass
- 338.10150494
Overview
carboxamide of nitrazepam; structure
Names & identifiers
- Preferred name
- D 58SI
- IUPAC
- N-methyl-7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepine-1-carboxamide
Names & synonyms
D 58SI2,3-Dihydro-N-methyl-7-nitro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-1-carboxamide27016-91-7D-58si4IAH4S28J21H-1,4-Benzodiazepine-1-carboxamide, 2,3-dihydro-N-methyl-7-nitro-2-oxo-5-phenyl-DTXSID50181499RefChem:130461DTXCID10103990BRN 0899773UNII-4IAH4S28J2N-methyl-7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepine-1-carboxamide
Show more names
CHEMBL305389N-methyl-7-nitro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine-1-carboxamideQ27259622
Database identifiers
- CAS
27016-91-7- PubChem CID
- 33670
- DTXSID
DTXSID50181499- ChEMBL
CHEMBL305389- UNII
- 4IAH4S28J2
- Nikkaji
- J1.583.400E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 580
Experimental & physicochemical properties
LogP1.76
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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