ChemSpider 2D Image | 1-[2-(Methylsulfonyl)phenyl]-3-{1-[2-(4-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinyl]-3-pyrrolidinyl}urea | C22H21F3N6O3S

1-[2-(Methylsulfonyl)phenyl]-3-{1-[2-(4-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinyl]-3-pyrrolidinyl}urea

  • Molecular FormulaC22H21F3N6O3S
  • Average mass506.501 Da
  • Monoisotopic mass506.134796 Da
  • ChemSpider ID114911698

More details:

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

1-[2-(Methylsulfonyl)phenyl]-3-{1-[2-(4-pyridinyl)-6-(trifluormethyl)-4-pyrimidinyl]-3-pyrrolidinyl}harnstoff [German] [ACD/IUPAC Name]
1-[2-(Methylsulfonyl)phenyl]-3-{1-[2-(4-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinyl]-3-pyrrolidinyl}urea [ACD/IUPAC Name]
1-[2-(Méthylsulfonyl)phényl]-3-{1-[2-(4-pyridinyl)-6-(trifluorométhyl)-4-pyrimidinyl]-3-pyrrolidinyl}urée [French] [ACD/IUPAC Name]
Urea, N-[2-(methylsulfonyl)phenyl]-N'-[1-[2-(4-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinyl]-3-pyrrolidinyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 625.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 332.2±31.5 °C
Index of Refraction: 1.637
Molar Refractivity: 120.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 39.28
ACD/KOC (pH 5.5): 481.62
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.28
ACD/KOC (pH 7.4): 481.64
Polar Surface Area: 126 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 70.8±5.0 dyne/cm
Molar Volume: 335.5±5.0 cm3

Click to predict properties on the Chemicalize site


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