ChemSpider 2D Image | 1-(4-Cyanophenyl)-3-{3-[4-(1-pyrrolidinyl)-2-pyrimidinyl]phenyl}urea | C22H20N6O

1-(4-Cyanophenyl)-3-{3-[4-(1-pyrrolidinyl)-2-pyrimidinyl]phenyl}urea

  • Molecular FormulaC22H20N6O
  • Average mass384.434 Da
  • Monoisotopic mass384.169861 Da
  • ChemSpider ID76757593

More details:

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

1-(4-Cyanophenyl)-3-{3-[4-(1-pyrrolidinyl)-2-pyrimidinyl]phenyl}urea [ACD/IUPAC Name]
1-(4-Cyanophényl)-3-{3-[4-(1-pyrrolidinyl)-2-pyrimidinyl]phényl}urée [French] [ACD/IUPAC Name]
1-(4-Cyanphenyl)-3-{3-[4-(1-pyrrolidinyl)-2-pyrimidinyl]phenyl}harnstoff [German] [ACD/IUPAC Name]
Urea, N-(4-cyanophenyl)-N'-[3-[4-(1-pyrrolidinyl)-2-pyrimidinyl]phenyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 476.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 241.9±28.7 °C
Index of Refraction: 1.687
Molar Refractivity: 108.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 88.87
ACD/KOC (pH 5.5): 605.92
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 300.30
ACD/KOC (pH 7.4): 2047.41
Polar Surface Area: 94 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 77.0±5.0 dyne/cm
Molar Volume: 285.4±5.0 cm3

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