ChemSpider 2D Image | N-[4-(Difluoromethoxy)benzyl]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-methylacetamide | C18H19F2N5O4

N-[4-(Difluoromethoxy)benzyl]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-methylacetamide

  • Molecular FormulaC18H19F2N5O4
  • Average mass407.371 Da
  • Monoisotopic mass407.140503 Da
  • ChemSpider ID21996675

More details:

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

7H-Purine-7-acetamide, N-[[4-(difluoromethoxy)phenyl]methyl]-1,2,3,6-tetrahydro-N,1,3-trimethyl-2,6-dioxo- [ACD/Index Name]
N-[4-(Difluormethoxy)benzyl]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-methylacetamid [German] [ACD/IUPAC Name]
N-[4-(Difluoromethoxy)benzyl]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-methylacetamide [ACD/IUPAC Name]
N-[4-(Difluorométhoxy)benzyl]-2-(1,3-diméthyl-2,6-dioxo-1,2,3,6-tétrahydro-7H-purin-7-yl)-N-méthylacétamide [French] [ACD/IUPAC 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: 621.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 329.9±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 99.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.01
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.74
ACD/KOC (pH 5.5): 202.96
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.74
ACD/KOC (pH 7.4): 202.96
Polar Surface Area: 88 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 286.1±7.0 cm3

Click to predict properties on the Chemicalize site


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