ChemSpider 2D Image | 3-Methyl-1-[3-({4-[3-(2,2,2-trifluoroethoxy)propyl]-1-piperazinyl}carbonyl)-3,4-dihydro-2(1H)-isoquinolinyl]-1-butanone | C24H34F3N3O3

3-Methyl-1-[3-({4-[3-(2,2,2-trifluoroethoxy)propyl]-1-piperazinyl}carbonyl)-3,4-dihydro-2(1H)-isoquinolinyl]-1-butanone

  • Molecular FormulaC24H34F3N3O3
  • Average mass469.540 Da
  • Monoisotopic mass469.255219 Da
  • ChemSpider ID33886259

More details:

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

1-Butanone, 1-[3,4-dihydro-3-[[4-[3-(2,2,2-trifluoroethoxy)propyl]-1-piperazinyl]carbonyl]-2(1H)-isoquinolinyl]-3-methyl- [ACD/Index Name]
3-Methyl-1-[3-({4-[3-(2,2,2-trifluorethoxy)propyl]-1-piperazinyl}carbonyl)-3,4-dihydro-2(1H)-isochinolinyl]-1-butanon [German] [ACD/IUPAC Name]
3-Méthyl-1-[3-({4-[3-(2,2,2-trifluoroéthoxy)propyl]-1-pipérazinyl}carbonyl)-3,4-dihydro-2(1H)-isoquinoléinyl]-1-butanone [French] [ACD/IUPAC Name]
3-Methyl-1-[3-({4-[3-(2,2,2-trifluoroethoxy)propyl]-1-piperazinyl}carbonyl)-3,4-dihydro-2(1H)-isoquinolinyl]-1-butanone [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 607.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 321.4±31.5 °C
Index of Refraction: 1.514
Molar Refractivity: 118.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 45.35
ACD/KOC (pH 5.5): 338.29
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 214.90
ACD/KOC (pH 7.4): 1603.13
Polar Surface Area: 53 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 394.2±3.0 cm3

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