ChemSpider 2D Image | (6E)-6-{[(4-Fluorobenzyl)amino](hydroxy)methylene}-3-methyl-2-[1-(2-pyridinylcarbonyl)-1,2,3,4-tetrahydro-2-quinolinyl]-3,6-dihydro-4,5-pyrimidinedione | C28H24FN5O4

(6E)-6-{[(4-Fluorobenzyl)amino](hydroxy)methylene}-3-methyl-2-[1-(2-pyridinylcarbonyl)-1,2,3,4-tetrahydro-2-quinolinyl]-3,6-dihydro-4,5-pyrimidinedione

  • Molecular FormulaC28H24FN5O4
  • Average mass513.520 Da
  • Monoisotopic mass513.181213 Da
  • ChemSpider ID8294027

  • Double-bond stereo - Double-bond stereo

More details:

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

(6E)-6-{[(4-Fluorbenzyl)amino](hydroxy)methylen}-3-methyl-2-[1-(2-pyridinylcarbonyl)-1,2,3,4-tetrahydro-2-chinolinyl]-3,6-dihydro-4,5-pyrimidindion [German] [ACD/IUPAC Name]
(6E)-6-{[(4-Fluorobenzyl)amino](hydroxy)méthylène}-3-méthyl-2-[1-(2-pyridinylcarbonyl)-1,2,3,4-tétrahydro-2-quinoléinyl]-3,6-dihydro-4,5-pyrimidinedione [French] [ACD/IUPAC Name]
(6E)-6-{[(4-Fluorobenzyl)amino](hydroxy)methylene}-3-methyl-2-[1-(2-pyridinylcarbonyl)-1,2,3,4-tetrahydro-2-quinolinyl]-3,6-dihydro-4,5-pyrimidinedione [ACD/IUPAC Name]
4,5-Pyrimidinedione, 6-[[[(4-fluorophenyl)methyl]amino]hydroxymethylene]-3,6-dihydro-3-methyl-2-[1,2,3,4-tetrahydro-1-(2-pyridinylcarbonyl)-2-quinolinyl]-, (6E)- [ACD/Index 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: 680.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 365.3±34.3 °C
Index of Refraction: 1.682
Molar Refractivity: 139.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 2.37
ACD/KOC (pH 5.5): 52.32
ACD/LogD (pH 7.4): -0.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.28
Polar Surface Area: 115 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 56.1±7.0 dyne/cm
Molar Volume: 367.0±7.0 cm3

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