ChemSpider 2D Image | {2-[Benzyl(methyl)amino]-4-(2-fluorophenoxy)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}(4-nitrophenyl)methanone | C28H24FN5O4

{2-[Benzyl(methyl)amino]-4-(2-fluorophenoxy)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}(4-nitrophenyl)methanone

  • Molecular FormulaC28H24FN5O4
  • Average mass513.520 Da
  • Monoisotopic mass513.181213 Da
  • ChemSpider ID22856827

More details:

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

{2-[Benzyl(methyl)amino]-4-(2-fluorophenoxy)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}(4-nitrophenyl)methanone [ACD/IUPAC Name]
{2-[Benzyl(méthyl)amino]-4-(2-fluorophénoxy)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}(4-nitrophényl)méthanone [French] [ACD/IUPAC Name]
{2-[Benzyl(methyl)amino]-4-(2-fluorphenoxy)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}(4-nitrophenyl)methanon [German] [ACD/IUPAC Name]
Methanone, [4-(2-fluorophenoxy)-7,8-dihydro-2-[methyl(phenylmethyl)amino]pyrido[4,3-d]pyrimidin-6(5H)-yl](4-nitrophenyl)- [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: 708.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 382.0±35.7 °C
Index of Refraction: 1.665
Molar Refractivity: 139.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.83
ACD/LogD (pH 5.5): 5.15
ACD/BCF (pH 5.5): 4806.38
ACD/KOC (pH 5.5): 14900.87
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 4955.77
ACD/KOC (pH 7.4): 15364.00
Polar Surface Area: 104 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 64.1±3.0 dyne/cm
Molar Volume: 376.1±3.0 cm3

Click to predict properties on the Chemicalize site


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