3,4-dihydro-4-methyl-7-(trifluoromethyl)-2H-1,4-benzodiazepine-2,5(1H)-dione
Basic information
- Standard SMILES
CN1CC(=O)Nc2ccc(C(F)(F)F)cc2C1=O- InChIKey
XJBLJAPFKKUUJZ-UHFFFAOYSA-N- Molecular formula
- C11H9F3N2O2
- Average molar mass
- 258.2 g/mol
Names & identifiers
- Preferred name
- 3,4-dihydro-4-methyl-7-(trifluoromethyl)-2H-1,4-benzodiazepine-2,5(1H)-dione
- IUPAC
- 4-methyl-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
Names & synonyms
3,4-dihydro-4-methyl-7-(trifluoromethyl)-2H-1,4-benzodiazepine-2,5(1H)-dioneSCHEMBL7269662
Database identifiers
- PubChem CID
- 21291979
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 370
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Related reactions
9 records
Compound notes
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