ChemSpider 2D Image | 1-[4-(6-{6,7-Dimethoxy-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-isoquinolinyl}-2-methyl-4-pyrimidinyl)-1-piperazinyl]ethanone | C29H32F3N5O3

1-[4-(6-{6,7-Dimethoxy-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-isoquinolinyl}-2-methyl-4-pyrimidinyl)-1-piperazinyl]ethanone

  • Molecular FormulaC29H32F3N5O3
  • Average mass555.591 Da
  • Monoisotopic mass555.245728 Da
  • ChemSpider ID121954269

More details:

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

1-[4-(6-{6,7-Dimethoxy-1-[4-(trifluormethyl)phenyl]-3,4-dihydro-2(1H)-isochinolinyl}-2-methyl-4-pyrimidinyl)-1-piperazinyl]ethanon [German] [ACD/IUPAC Name]
1-[4-(6-{6,7-Diméthoxy-1-[4-(trifluorométhyl)phényl]-3,4-dihydro-2(1H)-isoquinoléinyl}-2-méthyl-4-pyrimidinyl)-1-pipérazinyl]éthanone [French] [ACD/IUPAC Name]
1-[4-(6-{6,7-Dimethoxy-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-isoquinolinyl}-2-methyl-4-pyrimidinyl)-1-piperazinyl]ethanone [ACD/IUPAC Name]
Ethanone, 1-[4-[6-[3,4-dihydro-6,7-dimethoxy-1-[4-(trifluoromethyl)phenyl]-2(1H)-isoquinolinyl]-2-methyl-4-pyrimidinyl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 707.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 381.4±32.9 °C
Index of Refraction: 1.573
Molar Refractivity: 143.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 2.99
ACD/KOC (pH 5.5): 14.91
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 6.99
ACD/KOC (pH 7.4): 34.89
Polar Surface Area: 71 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 434.5±3.0 cm3

Click to predict properties on the Chemicalize site


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