ChemSpider 2D Image | 1-[4-({6,7-Bis[(~2~H_3_)methyloxy]-4-quinolinyl}oxy)-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea | C22H13D6ClN4O5

1-[4-({6,7-Bis[(2H3)methyloxy]-4-quinolinyl}oxy)-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea

  • Molecular FormulaC22H13D6ClN4O5
  • Average mass460.900 Da
  • Monoisotopic mass460.142059 Da
  • ChemSpider ID58971030

  • Non-standard isotope - Non-standard isotope

More details:

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

1-[4-({6,7-Bis[(2H3)methyloxy]-4-chinolinyl}oxy)-2-chlorphenyl]-3-(5-methyl-1,2-oxazol-3-yl)harnstoff [German] [ACD/IUPAC Name]
1-[4-({6,7-Bis[(2H3)méthyloxy]-4-quinoléinyl}oxy)-2-chlorophényl]-3-(5-méthyl-1,2-oxazol-3-yl)urée [French] [ACD/IUPAC Name]
1-[4-({6,7-Bis[(2H3)methyloxy]-4-quinolinyl}oxy)-2-chlorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea [ACD/IUPAC Name]
Urea, N-[4-[[6,7-bis(methyl-d3-oxy)-4-quinolinyl]oxy]-2-chlorophenyl]-N'-(5-methyl-3-isoxazolyl)- [ACD/Index 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: 550.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 286.7±30.1 °C
Index of Refraction: 1.680
Molar Refractivity: 120.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 525.96
ACD/KOC (pH 5.5): 2530.88
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1042.03
ACD/KOC (pH 7.4): 5014.17
Polar Surface Area: 108 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 320.0±3.0 cm3

Click to predict properties on the Chemicalize site


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