ChemSpider 2D Image | N-(3,5-Difluorophenyl)-4-{2-methyl-6-[(4-methyl-2-pyridinyl)amino]-4-pyrimidinyl}-1-piperazinecarboxamide | C22H23F2N7O

N-(3,5-Difluorophenyl)-4-{2-methyl-6-[(4-methyl-2-pyridinyl)amino]-4-pyrimidinyl}-1-piperazinecarboxamide

  • Molecular FormulaC22H23F2N7O
  • Average mass439.461 Da
  • Monoisotopic mass439.193207 Da
  • ChemSpider ID58392402

More details:

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

1-Piperazinecarboxamide, N-(3,5-difluorophenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]-4-pyrimidinyl]- [ACD/Index Name]
N-(3,5-Difluorophenyl)-4-{2-methyl-6-[(4-methyl-2-pyridinyl)amino]-4-pyrimidinyl}-1-piperazinecarboxamide [ACD/IUPAC Name]
N-(3,5-Difluorophényl)-4-{2-méthyl-6-[(4-méthyl-2-pyridinyl)amino]-4-pyrimidinyl}-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
N-(3,5-Difluorphenyl)-4-{2-methyl-6-[(4-methyl-2-pyridinyl)amino]-4-pyrimidinyl}-1-piperazincarboxamid [German] [ACD/IUPAC Name]
N-(3,5-difluorophenyl)-4-(2-methyl-6-((4-methylpyridin-2-yl)amino)pyrimidin-4-yl)piperazine-1-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 653.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 349.0±31.5 °C
Index of Refraction: 1.658
Molar Refractivity: 117.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 1.34
ACD/KOC (pH 5.5): 9.76
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 38.78
ACD/KOC (pH 7.4): 282.92
Polar Surface Area: 86 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 67.8±3.0 dyne/cm
Molar Volume: 318.0±3.0 cm3

Click to predict properties on the Chemicalize site


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