ChemSpider 2D Image | 3-{4-[4,4-Bis(4-fluorophenyl)butyl]-1-piperazinyl}-1,3-dihydro-2H-indol-2-one | C28H29F2N3O

3-{4-[4,4-Bis(4-fluorophenyl)butyl]-1-piperazinyl}-1,3-dihydro-2H-indol-2-one

  • Molecular FormulaC28H29F2N3O
  • Average mass461.546 Da
  • Monoisotopic mass461.227875 Da
  • ChemSpider ID71116072

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2H-Indol-2-one, 3-[4-[4,4-bis(4-fluorophenyl)butyl]-1-piperazinyl]-1,3-dihydro- [ACD/Index Name]
3-{4-[4,4-Bis(4-fluorophenyl)butyl]-1-piperazinyl}-1,3-dihydro-2H-indol-2-one [ACD/IUPAC Name]
3-{4-[4,4-Bis(4-fluorophényl)butyl]-1-pipérazinyl}-1,3-dihydro-2H-indol-2-one [French] [ACD/IUPAC Name]
3-{4-[4,4-Bis(4-fluorphenyl)butyl]-1-piperazinyl}-1,3-dihydro-2H-indol-2-on [German] [ACD/IUPAC Name]
1-[1-[4,4-Bis(4-Fluorophenyl)butyl]-4-piperidinyl]-1,3-dihydro-2H-benzimidazole-2-one
2062-78-4 [RN]
pimozide [INN] [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 617.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.3±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 128.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 5.96
ACD/KOC (pH 5.5): 23.83
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 297.51
ACD/KOC (pH 7.4): 1188.77
Polar Surface Area: 36 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 376.8±3.0 cm3

Click to predict properties on the Chemicalize site


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