7-Chloro-1-ethyl-5-phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione
Basic information
- CAS
22316-25-2- Standard SMILES
CCN1C(=O)CC(=O)N(c2ccccc2)c2cc(Cl)ccc21- InChIKey
GWVJSTVUWPHUTL-UHFFFAOYSA-N- Molecular formula
- C17H15ClN2O2
- Average molar mass
- 314.8 g/mol
- Monoisotopic mass
- 314.0822054
Names & identifiers
- Preferred name
- 7-Chloro-1-ethyl-5-phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione
- IUPAC
- 7-chloro-1-ethyl-5-phenyl-1,5-benzodiazepine-2,4-dione
Names & synonyms
7-Chloro-1-ethyl-5-phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dioneDTXSID309449631H-1,5-Benzodiazepine-2,4(3H,5H)-dione, 7-chloro-1-ethyl-5-phenyl-RefChem:310516DTXCID10137329122316-25-2SCHEMBL11552056
Database identifiers
- CAS
22316-25-2- PubChem CID
- 211115
- DTXSID
DTXSID30944963
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 436
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Compound notes
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