ChemSpider 2D Image | 8-Bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-{[(1-methyl-1H-imidazol-4-yl)methyl]amino}-3-quinolinecarbonitrile | C21H15BrClFN6

8-Bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-{[(1-methyl-1H-imidazol-4-yl)methyl]amino}-3-quinolinecarbonitrile

  • Molecular FormulaC21H15BrClFN6
  • Average mass485.739 Da
  • Monoisotopic mass484.021393 Da
  • ChemSpider ID23289040

More details:

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

3-Quinolinecarbonitrile, 8-bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-[[(1-methyl-1H-imidazol-4-yl)methyl]amino]- [ACD/Index Name]
8-Brom-4-[(3-chlor-4-fluorphenyl)amino]-6-{[(1-methyl-1H-imidazol-4-yl)methyl]amino}-3-chinolincarbonitril [German] [ACD/IUPAC Name]
8-Bromo-4-[(3-chloro-4-fluorophényl)amino]-6-{[(1-méthyl-1H-imidazol-4-yl)méthyl]amino}-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
8-Bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-{[(1-methyl-1H-imidazol-4-yl)methyl]amino}-3-quinolinecarbonitrile [ACD/IUPAC Name]
8-bromo-4-[(3-chloro-4-fluorophenyl)amino]-6-{[(1-methyl-1H-imidazol-4-yl)methyl]amino}quinoline-3-carbonitrile
Cyanoquinoline, 44

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

Density: 1.6±0.1 g/cm3
Boiling Point: 681.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 365.7±31.5 °C
Index of Refraction: 1.704
Molar Refractivity: 119.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 284.57
ACD/KOC (pH 5.5): 1010.89
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2724.41
ACD/KOC (pH 7.4): 9678.07
Polar Surface Area: 79 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 54.0±7.0 dyne/cm
Molar Volume: 306.7±7.0 cm3

Click to predict properties on the Chemicalize site


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