ChemSpider 2D Image | N-(3,5-Dimethoxyphenyl)-N-[3-(4-isopropoxy-2-pyrimidinyl)-2-propyn-1-yl]-3-(1-methyl-1H-pyrazol-4-yl)-6-quinoxalinamine | C30H29N7O3

N-(3,5-Dimethoxyphenyl)-N-[3-(4-isopropoxy-2-pyrimidinyl)-2-propyn-1-yl]-3-(1-methyl-1H-pyrazol-4-yl)-6-quinoxalinamine

  • Molecular FormulaC30H29N7O3
  • Average mass535.596 Da
  • Monoisotopic mass535.233215 Da
  • ChemSpider ID76740829

More details:

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

6-Quinoxalinamine, N-(3,5-dimethoxyphenyl)-N-[3-[4-(1-methylethoxy)-2-pyrimidinyl]-2-propyn-1-yl]-3-(1-methyl-1H-pyrazol-4-yl)- [ACD/Index Name]
N-(3,5-Dimethoxyphenyl)-N-[3-(4-isopropoxy-2-pyrimidinyl)-2-propin-1-yl]-3-(1-methyl-1H-pyrazol-4-yl)-6-chinoxalinamin [German] [ACD/IUPAC Name]
N-(3,5-Dimethoxyphenyl)-N-[3-(4-isopropoxy-2-pyrimidinyl)-2-propyn-1-yl]-3-(1-methyl-1H-pyrazol-4-yl)-6-quinoxalinamine [ACD/IUPAC Name]
N-(3,5-Diméthoxyphényl)-N-[3-(4-isopropoxy-2-pyrimidinyl)-2-propyn-1-yl]-3-(1-méthyl-1H-pyrazol-4-yl)-6-quinoxalinamine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 778.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 424.9±35.7 °C
Index of Refraction: 1.633
Molar Refractivity: 154.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1338.63
ACD/KOC (pH 5.5): 6020.84
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1338.70
ACD/KOC (pH 7.4): 6021.14
Polar Surface Area: 100 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 432.4±7.0 cm3

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