ChemSpider 2D Image | N-(3,4-Dimethyl-1,2-oxazol-5-yl)-4-{[2-(4-fluorophenyl)-6-(2,5,5-trimethyl-4-morpholinyl)-4-pyrimidinyl]amino}benzenesulfonamide | C28H31FN6O4S

N-(3,4-Dimethyl-1,2-oxazol-5-yl)-4-{[2-(4-fluorophenyl)-6-(2,5,5-trimethyl-4-morpholinyl)-4-pyrimidinyl]amino}benzenesulfonamide

  • Molecular FormulaC28H31FN6O4S
  • Average mass566.647 Da
  • Monoisotopic mass566.211182 Da
  • ChemSpider ID121539010

More details:

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

Benzenesulfonamide, N-(3,4-dimethyl-5-isoxazolyl)-4-[[2-(4-fluorophenyl)-6-(2,5,5-trimethyl-4-morpholinyl)-4-pyrimidinyl]amino]- [ACD/Index Name]
N-(3,4-Dimethyl-1,2-oxazol-5-yl)-4-{[2-(4-fluorophenyl)-6-(2,5,5-trimethyl-4-morpholinyl)-4-pyrimidinyl]amino}benzenesulfonamide [ACD/IUPAC Name]
N-(3,4-Diméthyl-1,2-oxazol-5-yl)-4-{[2-(4-fluorophényl)-6-(2,5,5-triméthyl-4-morpholinyl)-4-pyrimidinyl]amino}benzènesulfonamide [French] [ACD/IUPAC Name]
N-(3,4-Dimethyl-1,2-oxazol-5-yl)-4-{[2-(4-fluorphenyl)-6-(2,5,5-trimethyl-4-morpholinyl)-4-pyrimidinyl]amino}benzolsulfonamid [German] [ACD/IUPAC 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: 665.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 356.1±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 148.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 24.95
ACD/KOC (pH 5.5): 104.77
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 17.97
ACD/KOC (pH 7.4): 75.44
Polar Surface Area: 131 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 430.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement