ChemSpider 2D Image | 1-(4-{6-[(2,6-Difluorophenyl)amino]-2-methyl-4-pyrimidinyl}-1-piperazinyl)-3-(4-morpholinyl)-1-propanone | C22H28F2N6O2

1-(4-{6-[(2,6-Difluorophenyl)amino]-2-methyl-4-pyrimidinyl}-1-piperazinyl)-3-(4-morpholinyl)-1-propanone

  • Molecular FormulaC22H28F2N6O2
  • Average mass446.493 Da
  • Monoisotopic mass446.224182 Da
  • ChemSpider ID121589931

More details:

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

1-(4-{6-[(2,6-Difluorophenyl)amino]-2-methyl-4-pyrimidinyl}-1-piperazinyl)-3-(4-morpholinyl)-1-propanone [ACD/IUPAC Name]
1-(4-{6-[(2,6-Difluorophényl)amino]-2-méthyl-4-pyrimidinyl}-1-pipérazinyl)-3-(4-morpholinyl)-1-propanone [French] [ACD/IUPAC Name]
1-(4-{6-[(2,6-Difluorphenyl)amino]-2-methyl-4-pyrimidinyl}-1-piperazinyl)-3-(4-morpholinyl)-1-propanon [German] [ACD/IUPAC Name]
1-Propanone, 1-[4-[6-[(2,6-difluorophenyl)amino]-2-methyl-4-pyrimidinyl]-1-piperazinyl]-3-(4-morpholinyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 598.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 315.5±30.1 °C
Index of Refraction: 1.592
Molar Refractivity: 115.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): -1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 8.26
ACD/KOC (pH 7.4): 118.02
Polar Surface Area: 74 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 342.3±3.0 cm3

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