ChemSpider 2D Image | N-(1,4-Dioxan-2-ylmethyl)-2-[4-(2-hydroxyethyl)-1-piperazinyl]-6-(trifluoromethyl)nicotinamide | C18H25F3N4O4

N-(1,4-Dioxan-2-ylmethyl)-2-[4-(2-hydroxyethyl)-1-piperazinyl]-6-(trifluoromethyl)nicotinamide

  • Molecular FormulaC18H25F3N4O4
  • Average mass418.411 Da
  • Monoisotopic mass418.182800 Da
  • ChemSpider ID22505709

More details:

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

3-Pyridinecarboxamide, N-(1,4-dioxan-2-ylmethyl)-2-[4-(2-hydroxyethyl)-1-piperazinyl]-6-(trifluoromethyl)- [ACD/Index Name]
N-(1,4-Dioxan-2-ylmethyl)-2-[4-(2-hydroxyethyl)-1-piperazinyl]-6-(trifluormethyl)nicotinamid [German] [ACD/IUPAC Name]
N-(1,4-Dioxan-2-ylmethyl)-2-[4-(2-hydroxyethyl)-1-piperazinyl]-6-(trifluoromethyl)nicotinamide [ACD/IUPAC Name]
N-(1,4-Dioxan-2-ylméthyl)-2-[4-(2-hydroxyéthyl)-1-pipérazinyl]-6-(trifluorométhyl)nicotinamide [French] [ACD/IUPAC 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: 574.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 301.5±30.1 °C
Index of Refraction: 1.521
Molar Refractivity: 97.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.10
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.56
ACD/KOC (pH 7.4): 84.43
Polar Surface Area: 87 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 319.5±3.0 cm3

Click to predict properties on the Chemicalize site


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