ChemSpider 2D Image | 1-{3-[2-Chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea | C29H33ClN6O4

1-{3-[2-Chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea

  • Molecular FormulaC29H33ClN6O4
  • Average mass565.063 Da
  • Monoisotopic mass564.225159 Da
  • ChemSpider ID29413837

More details:

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

1-{3-[2-Chlor-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylharnstoff [German] [ACD/IUPAC Name]
1-{3-[2-Chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea [ACD/IUPAC Name]
1-{3-[2-Chloro-4-({5-[2-(2-hydroxyéthoxy)éthyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phénoxy]phényl}-3-cyclohexylurée [French] [ACD/IUPAC Name]
Urea, N-[3-[2-chloro-4-[[5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino]phenoxy]phenyl]-N'-cyclohexyl- [ACD/Index Name]
W2R

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

Density: 1.4±0.1 g/cm3
Boiling Point: 733.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.4±3.0 kJ/mol
Flash Point: 397.6±32.9 °C
Index of Refraction: 1.668
Molar Refractivity: 151.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 45.55
ACD/KOC (pH 5.5): 140.77
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 1624.92
ACD/KOC (pH 7.4): 5021.24
Polar Surface Area: 123 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 407.3±7.0 cm3

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