ChemSpider 2D Image | N-(5-Chloro-2,4-dimethoxyphenyl)-4-[6-(4,5-dimethyl-1H-imidazol-1-yl)-4-pyrimidinyl]-1-piperazinecarboxamide | C22H26ClN7O3

N-(5-Chloro-2,4-dimethoxyphenyl)-4-[6-(4,5-dimethyl-1H-imidazol-1-yl)-4-pyrimidinyl]-1-piperazinecarboxamide

  • Molecular FormulaC22H26ClN7O3
  • Average mass471.940 Da
  • Monoisotopic mass471.178558 Da
  • ChemSpider ID29432091

More details:

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

1-Piperazinecarboxamide, N-(5-chloro-2,4-dimethoxyphenyl)-4-[6-(4,5-dimethyl-1H-imidazol-1-yl)-4-pyrimidinyl]- [ACD/Index Name]
N-(5-Chlor-2,4-dimethoxyphenyl)-4-[6-(4,5-dimethyl-1H-imidazol-1-yl)-4-pyrimidinyl]-1-piperazincarboxamid [German] [ACD/IUPAC Name]
N-(5-Chloro-2,4-dimethoxyphenyl)-4-[6-(4,5-dimethyl-1H-imidazol-1-yl)-4-pyrimidinyl]-1-piperazinecarboxamide [ACD/IUPAC Name]
N-(5-Chloro-2,4-diméthoxyphényl)-4-[6-(4,5-diméthyl-1H-imidazol-1-yl)-4-pyrimidinyl]-1-pipérazinecarboxamide [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: 757.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 412.1±32.9 °C
Index of Refraction: 1.660
Molar Refractivity: 125.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 34.52
ACD/KOC (pH 5.5): 358.18
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 69.78
ACD/KOC (pH 7.4): 723.95
Polar Surface Area: 98 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 339.7±7.0 cm3

Click to predict properties on the Chemicalize site


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