ChemSpider 2D Image | N-[4-(trifluoromethyl)phenyl]-N'-(6-{4-[3-(trifluoromethyl)pyridin-2-yl]piperazino}pyridin-3-yl)urea | C23H20F6N6O

N-[4-(trifluoromethyl)phenyl]-N'-(6-{4-[3-(trifluoromethyl)pyridin-2-yl]piperazino}pyridin-3-yl)urea

  • Molecular FormulaC23H20F6N6O
  • Average mass510.435 Da
  • Monoisotopic mass510.160278 Da
  • ChemSpider ID2023446

More details:

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

1-[4-(Trifluormethyl)phenyl]-3-(6-{4-[3-(trifluormethyl)-2-pyridinyl]-1-piperazinyl}-3-pyridinyl)harnstoff [German] [ACD/IUPAC Name]
1-[4-(Trifluoromethyl)phenyl]-3-(6-{4-[3-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl}-3-pyridinyl)urea [ACD/IUPAC Name]
1-[4-(Trifluorométhyl)phényl]-3-(6-{4-[3-(trifluorométhyl)-2-pyridinyl]-1-pipérazinyl}-3-pyridinyl)urée [French] [ACD/IUPAC Name]
N-[4-(trifluoromethyl)phenyl]-N'-(6-{4-[3-(trifluoromethyl)pyridin-2-yl]piperazino}pyridin-3-yl)urea
Urea, N-[4-(trifluoromethyl)phenyl]-N'-[6-[4-[3-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-3-pyridinyl]- [ACD/Index Name]
1-[4-(TRIFLUOROMETHYL)PHENYL]-3-[6-[4-[3-(TRIFLUOROMETHYL)PYRIDIN-2-YL]PIPERAZIN-1-YL]PYRIDIN-3-YL]UREA

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

Density: 1.5±0.1 g/cm3
Boiling Point: 541.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 281.5±30.1 °C
Index of Refraction: 1.596
Molar Refractivity: 119.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 5.32
ACD/KOC (pH 5.5): 21.68
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 787.68
ACD/KOC (pH 7.4): 3207.98
Polar Surface Area: 73 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 350.8±3.0 cm3

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