ChemSpider 2D Image | 4,5,6,7-Tetrahydro-1H-indazol-3-yl{4-[6-(trifluoromethyl)-4-pyrimidinyl]-1-piperazinyl}methanone | C17H19F3N6O

4,5,6,7-Tetrahydro-1H-indazol-3-yl{4-[6-(trifluoromethyl)-4-pyrimidinyl]-1-piperazinyl}methanone

  • Molecular FormulaC17H19F3N6O
  • Average mass380.368 Da
  • Monoisotopic mass380.157257 Da
  • ChemSpider ID34486361

More details:

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

4,5,6,7-Tetrahydro-1H-indazol-3-yl{4-[6-(trifluormethyl)-4-pyrimidinyl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
4,5,6,7-Tetrahydro-1H-indazol-3-yl{4-[6-(trifluoromethyl)-4-pyrimidinyl]-1-piperazinyl}methanone [ACD/IUPAC Name]
4,5,6,7-Tétrahydro-1H-indazol-3-yl{4-[6-(trifluorométhyl)-4-pyrimidinyl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, (4,5,6,7-tetrahydro-1H-indazol-3-yl)[4-[6-(trifluoromethyl)-4-pyrimidinyl]-1-piperazinyl]- [ACD/Index Name]
(4,5,6,7-tetrahydro-1H-indazol-3-yl)(4-(6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)methanone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 638.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 340.1±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 90.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 23.57
ACD/KOC (pH 5.5): 333.85
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 23.64
ACD/KOC (pH 7.4): 334.83
Polar Surface Area: 78 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 268.1±3.0 cm3

Click to predict properties on the Chemicalize site


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