Basic information
- Standard SMILES
COCCCC1CN(C2=Nc3cc(F)ccc3Nc3ccc(C(F)(F)F)cc32)CCN1- InChIKey
YIQILDLEJVNPON-UHFFFAOYSA-N- Molecular formula
- C22H24F4N4O
- Average molar mass
- 436.4 g/mol
Names & identifiers
- Preferred name
- 8-Fluoro-11-[3-(3-methoxy-propyl)-piperazin-1-yl]-2-trifluoromethyl-5h-dibenzo[b,e][1,4]diazepine
- IUPAC
- 3-fluoro-6-[3-(3-methoxypropyl)piperazin-1-yl]-8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepine
Names & synonyms
8-fluoro-11-[3-(3-methoxy-propyl)-piperazin-1-yl]-2-trifluoromethyl-5h-dibenzo[b,e][1,4]diazepineSCHEMBL4839231
Database identifiers
- PubChem CID
- 136394887
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 631
Related reactions
2 records
Compound notes
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