Basic information
- Standard SMILES
CC(=O)N1c2ccc(Br)cc2CCC1C(=O)N1CC(N2CCN(C(=O)C(F)(F)F)CC2)C1- InChIKey
CNILVUSGYUXTNP-UHFFFAOYSA-N- Molecular formula
- C21H24BrF3N4O3
- Average molar mass
- 517.3 g/mol
Names & identifiers
- Preferred name
- 1-Acetyl-6-bromo-2-({3-[4-(trifluoroacetyl)piperazin-1-yl]azetidin-1-yl}carbonyl)-1,2,3,4-tetrahydroquinoline
- IUPAC
- 1-[4-[1-(1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carbonyl)azetidin-3-yl]piperazin-1-yl]-2,2,2-trifluoroethanone
Names & synonyms
1-Acetyl-6-bromo-2-({3-[4-(trifluoroacetyl)piperazin-1-yl]azetidin-1-yl}carbonyl)-1,2,3,4-tetrahydroquinolineSCHEMBL697653
Database identifiers
- PubChem CID
- 59625925
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 753
Related reactions
17 records
Compound notes
Loading…