Basic information
- Standard SMILES
Cc1nnc2n1-c1cc(C(F)(F)F)ccc1C(c1ccccc1)=NC2- InChIKey
CQSMMGVQIXHMDI-UHFFFAOYSA-N- Molecular formula
- C18H13F3N4
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.10923092
Names & identifiers
- Preferred name
- 9-trifluoromethyl-1-methyl-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine
- IUPAC
- 1-methyl-6-phenyl-9-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
Names & synonyms
9-trifluoromethyl-1-methyl-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepineSCHEMBL11622647
Database identifiers
- PubChem CID
- 20368147
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 515
Related reactions
1 records
Compound notes
Loading…