ChemSpider 2D Image | 4-{1-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2,6-naphthyridin-3-yl}-N-[3-(trifluoromethyl)benzyl]-2-pyridinamine | C33H29F3N6O2

4-{1-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2,6-naphthyridin-3-yl}-N-[3-(trifluoromethyl)benzyl]-2-pyridinamine

  • Molecular FormulaC33H29F3N6O2
  • Average mass598.618 Da
  • Monoisotopic mass598.230408 Da
  • ChemSpider ID76039781

More details:

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

2-Pyridinamine, 4-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2,6-naphthyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
4-{1-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2,6-naphthyridin-3-yl}-N-[3-(trifluormethyl)benzyl]-2-pyridinamin [German] [ACD/IUPAC Name]
4-{1-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2,6-naphthyridin-3-yl}-N-[3-(trifluoromethyl)benzyl]-2-pyridinamine [ACD/IUPAC Name]
4-{1-[4-(1,3-Benzodioxol-5-ylméthyl)-1-pipérazinyl]-2,6-naphtyridin-3-yl}-N-[3-(trifluorométhyl)benzyl]-2-pyridinamine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 743.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 403.2±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 161.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1130.56
ACD/KOC (pH 5.5): 3715.74
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 3937.43
ACD/KOC (pH 7.4): 12940.89
Polar Surface Area: 76 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 435.0±3.0 cm3

Click to predict properties on the Chemicalize site


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