Basic information
- CAS
1022404-13-2- Standard SMILES
O=C(c1cc2ccccc2n1Cc1ccccc1)N1CCN(c2ccccc2F)CC1- InChIKey
NHDSMONEJAVYKL-UHFFFAOYSA-N- Molecular formula
- C26H24FN3O
- Average molar mass
- 413.5 g/mol
Names & identifiers
- Preferred name
- 4-(2-Fluorophenyl)piperazinyl 1-benzylindol-2-YL ketone
- IUPAC
- (1-benzylindol-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
- English name
- 4-(2-Fluorophenyl)piperazinyl 1-benzylindol-2-yl ketone
- Molecular formula
- C26H24FN3O
- Molecular weight
- 413.49
Names & synonyms
1022404-13-24-(2-FLUOROPHENYL)PIPERAZINYL 1-BENZYLINDOL-2-YL KETONE(1-benzylindol-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone1-benzyl-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-indoleMFCD03839457C26H24FN3OXQB40413AKOS022168353MS-10095(1-Benzyl-1H-indol-2-yl)(4-(2-fluorophenyl)piperazin-1-yl)methanoneMethanone, [4-(2-fluorophenyl)-1-piperazinyl][1-(phenylmethyl)-1H-indol-2-yl]-
Database identifiers
- CAS
1022404-13-2
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 601
Physicochemical properties
- Boiling point
- 627.3 · 627.3±55.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 1.58 · 1.58±0.10(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…