ChemSpider 2D Image | 1-[2-Benzyl-6-(dicyclohexylamino)-4-pyrimidinyl]-6-(2-methyl-2-propanyl)-2,3-dihydro-4(1H)-quinolinone | C36H46N4O

1-[2-Benzyl-6-(dicyclohexylamino)-4-pyrimidinyl]-6-(2-methyl-2-propanyl)-2,3-dihydro-4(1H)-quinolinone

  • Molecular FormulaC36H46N4O
  • Average mass550.777 Da
  • Monoisotopic mass550.367188 Da
  • ChemSpider ID121821626

More details:

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

1-[2-Benzyl-6-(dicyclohexylamino)-4-pyrimidinyl]-6-(2-methyl-2-propanyl)-2,3-dihydro-4(1H)-chinolinon [German] [ACD/IUPAC Name]
1-[2-Benzyl-6-(dicyclohexylamino)-4-pyrimidinyl]-6-(2-méthyl-2-propanyl)-2,3-dihydro-4(1H)-quinoléinone [French] [ACD/IUPAC Name]
1-[2-Benzyl-6-(dicyclohexylamino)-4-pyrimidinyl]-6-(2-methyl-2-propanyl)-2,3-dihydro-4(1H)-quinolinone [ACD/IUPAC Name]
4(1H)-Quinolinone, 1-[6-(dicyclohexylamino)-2-(phenylmethyl)-4-pyrimidinyl]-6-(1,1-dimethylethyl)-2,3-dihydro- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 713.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 385.3±32.9 °C
Index of Refraction: 1.606
Molar Refractivity: 166.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 9.01
ACD/LogD (pH 5.5): 7.87
ACD/BCF (pH 5.5): 480168.44
ACD/KOC (pH 5.5): 334797.47
ACD/LogD (pH 7.4): 8.16
ACD/BCF (pH 7.4): 933311.25
ACD/KOC (pH 7.4): 650751.31
Polar Surface Area: 49 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 483.5±3.0 cm3

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