D 58SI
N-methyl-7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepine-1-carboxamide
| Molecular Formula | C17H14N4O4 |
|---|---|
| Molecular Weight | 338.32 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 108.0 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 338.1015 |
| Heavy Atoms | 25 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 27016-91-7 |
|---|---|
| SMILES | CNC(=O)N1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3 |
| InChIKey | PDLWQTVMGHECQL-UHFFFAOYSA-N |
📖 Product Overview
D 58SI (CAS: 27016-91-7) is a chemical compound with molecular formula C17H14N4O4 and molecular weight 338.32 g/mol. Its IUPAC systematic name is N-methyl-7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepine-1-carboxamide.
PDLWQTVMGHECQL-UHFFFAOYSA-N.
SMILES: CNC(=O)N1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3.
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