Basic information
- Standard SMILES
CCN(CC)CCc1nnc2n1-c1cc(C(F)(F)F)ccc1C(c1ccccc1)=NC2- InChIKey
LVQVCXWUIXUPOH-UHFFFAOYSA-N- Molecular formula
- C23H24F3N5
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 427.19838027
Names & identifiers
- Preferred name
- 9-trifluoromethyl-1-[2-(diethylamino)ethyl]-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine
- IUPAC
- N,N-diethyl-2-[6-phenyl-9-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]ethanamine
Names & synonyms
9-trifluoromethyl-1-[2-(diethylamino)ethyl]-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepineSCHEMBL11621084
Database identifiers
- PubChem CID
- 20368142
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 615
Related reactions
1 records
Compound notes
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