ChemSpider 2D Image | N-{4-[3-(3-Cyanobenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-2,6-difluorobenzamide | C25H20F2N4O2

N-{4-[3-(3-Cyanobenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-2,6-difluorobenzamide

  • Molecular FormulaC25H20F2N4O2
  • Average mass446.449 Da
  • Monoisotopic mass446.155426 Da
  • ChemSpider ID22723636

More details:

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

Benzamide, N-[4-[3-[(3-cyanophenyl)methyl]tetrahydro-2-oxo-1(2H)-pyrimidinyl]phenyl]-2,6-difluoro- [ACD/Index Name]
N-{4-[3-(3-Cyanbenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-2,6-difluorbenzamid [German] [ACD/IUPAC Name]
N-{4-[3-(3-Cyanobenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-2,6-difluorobenzamide [ACD/IUPAC Name]
N-{4-[3-(3-Cyanobenzyl)-2-oxotétrahydro-1(2H)-pyrimidinyl]phényl}-2,6-difluorobenzamide [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: 568.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 297.8±30.1 °C
Index of Refraction: 1.660
Molar Refractivity: 118.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 178.46
ACD/KOC (pH 5.5): 1423.20
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 178.46
ACD/KOC (pH 7.4): 1423.19
Polar Surface Area: 76 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 66.0±5.0 dyne/cm
Molar Volume: 320.7±5.0 cm3

Click to predict properties on the Chemicalize site


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