4-Tert-butyl-7-chloro-1,3-dihydro-1,4-benzodiazepine-2,5-dione

HCID 178104

Notes Reactions

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Basic information

CAS: 167689-85-2
Standard SMILES: CC(C)(C)N1CC(=O)Nc2ccc(Cl)cc2C1=O
InChIKey: OELNYTJWSYITDO-UHFFFAOYSA-N
Molecular formula: C13H15ClN2O2
Average molar mass: 266.72 g/mol
Monoisotopic mass: 266.0822054

Names & identifiers

Preferred name: 4-Tert-butyl-7-chloro-1,3-dihydro-1,4-benzodiazepine-2,5-dione
IUPAC: 4-tert-butyl-7-chloro-1,3-dihydro-1,4-benzodiazepine-2,5-dione

Names & synonyms

4-tert-butyl-7-chloro-1,3-dihydro-1,4-benzodiazepine-2,5-dione167689-85-2SCHEMBL9261504DTXSID30168349OELNYTJWSYITDO-UHFFFAOYSA-N4-tert-Butyl-7-chloro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione7-chloro-4-tert-butyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

Database identifiers

CAS: 167689-85-2
PubChem CID: 178104
DTXSID: DTXSID30168349
Nikkaji: J816.016C

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 49.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 364

Related reactions

1 records

New reaction record

HRID 1755634As reactantuspto-grants-1995_08

Compound notes

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