ChemSpider 2D Image | 1-{6-[(4-Bromo-2-methoxyphenyl)amino]-4-pyrimidinyl}-3-(2,6-dichlorophenyl)urea | C18H14BrCl2N5O2

1-{6-[(4-Bromo-2-methoxyphenyl)amino]-4-pyrimidinyl}-3-(2,6-dichlorophenyl)urea

  • Molecular FormulaC18H14BrCl2N5O2
  • Average mass483.146 Da
  • Monoisotopic mass480.970795 Da
  • ChemSpider ID127414820

More details:

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

1-{6-[(4-Brom-2-methoxyphenyl)amino]-4-pyrimidinyl}-3-(2,6-dichlorphenyl)harnstoff [German] [ACD/IUPAC Name]
1-{6-[(4-Bromo-2-methoxyphenyl)amino]-4-pyrimidinyl}-3-(2,6-dichlorophenyl)urea [ACD/IUPAC Name]
1-{6-[(4-Bromo-2-méthoxyphényl)amino]-4-pyrimidinyl}-3-(2,6-dichlorophényl)urée [French] [ACD/IUPAC Name]
Urea, N-[6-[(4-bromo-2-methoxyphenyl)amino]-4-pyrimidinyl]-N'-(2,6-dichlorophenyl)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 508.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 261.1±30.1 °C
Index of Refraction: 1.734
Molar Refractivity: 114.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 6.05
ACD/BCF (pH 5.5): 23160.94
ACD/KOC (pH 5.5): 45467.45
ACD/LogD (pH 7.4): 6.08
ACD/BCF (pH 7.4): 24489.96
ACD/KOC (pH 7.4): 48076.46
Polar Surface Area: 88 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 69.2±3.0 dyne/cm
Molar Volume: 286.4±3.0 cm3

Click to predict properties on the Chemicalize site


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