Basic information
- CAS
40406-62-0- Standard SMILES
O=CN1C(=O)CC(=O)N(c2ccccc2)c2cc(Cl)ccc21- InChIKey
XGTITDAWBWGDIQ-UHFFFAOYSA-N- Molecular formula
- C16H11ClN2O3
- Average molar mass
- 314.72 g/mol
- Monoisotopic mass
- 314.0458199
Names & identifiers
- Preferred name
- 1H-1,5-Benzodiazepine-1-carboxaldehyde, 2,3,4,5-tetrahydro-7-chloro-2,4-dioxo-5-phenyl-
- IUPAC
- 7-chloro-2,4-dioxo-5-phenyl-1,5-benzodiazepine-1-carbaldehyde
Names & synonyms
40406-62-07-Chloro-1-formyl-5-phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione1H-1,5-Benzodiazepine-1-carboxaldehyde, 2,3,4,5-tetrahydro-7-chloro-2,4-dioxo-5-phenyl-DTXSID601934222,3,4,5-Tetrahydro-7-chloro-2,4-dioxo-5-phenyl-1H-1,5-benzodiazepine-1-carboxaldehydeRefChem:237182DTXCID701159137-chloro-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1h-1,5-benzodiazepine-1-carbaldehyde
Database identifiers
- CAS
40406-62-0- PubChem CID
- 218261
- DTXSID
DTXSID60193422
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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