Basic information
- Standard SMILES
O=C(c1ccccc1)c1c[nH]c2c(N3CCN(C(=O)C(F)(F)F)CC3)cccc12- InChIKey
XLYZBOKESCSIPC-UHFFFAOYSA-N- Molecular formula
- C21H18F3N3O2
- Average molar mass
- 401.4 g/mol
Names & identifiers
- Preferred name
- 1-[4-(3-Benzoyl-1H-indol-7-yl)-piperazin-1-yl]-2,2,2-trifluoro-ethanone
- IUPAC
- 1-[4-(3-benzoyl-1H-indol-7-yl)piperazin-1-yl]-2,2,2-trifluoroethanone
Names & synonyms
1-[4-(3-Benzoyl-1H-indol-7-yl)-piperazin-1-yl]-2,2,2-trifluoro-ethanoneSCHEMBL3294302
Database identifiers
- PubChem CID
- 59344926
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 56.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 613
Related reactions
1 records
Compound notes
Loading…