1H-1,4-Benzodiazepine-2,5-dione, 7-chloro-3,4-dihydro-4-(1-methylethyl)-
Basic information
- CAS
167689-87-4- Standard SMILES
CC(C)N1CC(=O)Nc2ccc(Cl)cc2C1=O- InChIKey
JZNZCOVAUYDQQM-UHFFFAOYSA-N- Molecular formula
- C12H13ClN2O2
- Average molar mass
- 252.69 g/mol
- Monoisotopic mass
- 252.0665554
Names & identifiers
- Preferred name
- 1H-1,4-Benzodiazepine-2,5-dione, 7-chloro-3,4-dihydro-4-(1-methylethyl)-
- IUPAC
- 7-chloro-4-propan-2-yl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
Names & synonyms
167689-87-41H-1,4-Benzodiazepine-2,5-dione, 7-chloro-3,4-dihydro-4-(1-methylethyl)-7-Chloro-4-(propan-2-yl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dioneDTXSID40168350
Database identifiers
- CAS
167689-87-4- PubChem CID
- 178105
- DTXSID
DTXSID40168350- Nikkaji
- J816.017A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 332
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Compound notes
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