Basic information
- CAS
167689-93-2- Standard SMILES
CC(C)(C)CN1CC(=O)Nc2ccc(Cl)cc2C1=O- InChIKey
JPMPQLMIVVTJNS-UHFFFAOYSA-N- Molecular formula
- C14H17ClN2O2
- Average molar mass
- 280.75 g/mol
- Monoisotopic mass
- 280.0978555
Names & identifiers
- Preferred name
- 1H-1,4-Benzodiazepine-2,5-dione, 7-chloro-4-(2,2-dimethylpropyl)-3,4-dihydro-
- IUPAC
- 7-chloro-4-(2,2-dimethylpropyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
Names & synonyms
1H-1,4-Benzodiazepine-2,5-dione, 7-chloro-4-(2,2-dimethylpropyl)-3,4-dihydro-167689-93-27-chloro-4-(2,2-dimethylpropyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dioneSCHEMBL9268096DTXSID20168353
Database identifiers
- CAS
167689-93-2- PubChem CID
- 178108
- DTXSID
DTXSID20168353- Nikkaji
- J816.018J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…