ChemSpider 2D Image | 6-{[2-{[4-(2,4-Dichlorophenyl)-5-(4-methyl-1H-imidazol-2-yl)-2-pyrimidinyl]amino}(~2~H_4_)ethyl]amino}nicotinonitrile | C22H14D4Cl2N8

6-{[2-{[4-(2,4-Dichlorophenyl)-5-(4-methyl-1H-imidazol-2-yl)-2-pyrimidinyl]amino}(2H4)ethyl]amino}nicotinonitrile

  • Molecular FormulaC22H14D4Cl2N8
  • Average mass469.363 Da
  • Monoisotopic mass468.128265 Da
  • ChemSpider ID107435283

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Pyridinecarbonitrile, 6-[[2-[[4-(2,4-dichlorophenyl)-5-(4-methyl-1H-imidazol-2-yl)-2-pyrimidinyl]amino]ethyl-1,1,2,2-d4]amino]- [ACD/Index Name]
6-{[2-{[4-(2,4-Dichlorophenyl)-5-(4-methyl-1H-imidazol-2-yl)-2-pyrimidinyl]amino}(2H4)ethyl]amino}nicotinonitrile [ACD/IUPAC Name]
6-{[2-{[4-(2,4-Dichlorophényl)-5-(4-méthyl-1H-imidazol-2-yl)-2-pyrimidinyl]amino}(2H4)éthyl]amino}nicotinonitrile [French] [ACD/IUPAC Name]
6-{[2-{[4-(2,4-Dichlorphenyl)-5-(4-methyl-1H-imidazol-2-yl)-2-pyrimidinyl]amino}(2H4)ethyl]amino}nicotinonitril [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 784.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 428.0±35.7 °C
Index of Refraction: 1.700
Molar Refractivity: 121.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 754.72
ACD/KOC (pH 5.5): 3888.50
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 828.99
ACD/KOC (pH 7.4): 4271.15
Polar Surface Area: 115 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 87.9±5.0 dyne/cm
Molar Volume: 314.2±5.0 cm3

Click to predict properties on the Chemicalize site


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