ChemSpider 2D Image | N-[4,6-Dimethyl-2-(4-morpholinyl)-5-pyrimidinyl]-4-methyl-3,5-dinitrobenzenesulfonamide | C17H20N6O7S

N-[4,6-Dimethyl-2-(4-morpholinyl)-5-pyrimidinyl]-4-methyl-3,5-dinitrobenzenesulfonamide

  • Molecular FormulaC17H20N6O7S
  • Average mass452.442 Da
  • Monoisotopic mass452.111420 Da
  • ChemSpider ID58427105

More details:

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

Benzenesulfonamide, N-[4,6-dimethyl-2-(4-morpholinyl)-5-pyrimidinyl]-4-methyl-3,5-dinitro- [ACD/Index Name]
N-[4,6-Dimethyl-2-(4-morpholinyl)-5-pyrimidinyl]-4-methyl-3,5-dinitrobenzenesulfonamide [ACD/IUPAC Name]
N-[4,6-Diméthyl-2-(4-morpholinyl)-5-pyrimidinyl]-4-méthyl-3,5-dinitrobenzènesulfonamide [French] [ACD/IUPAC Name]
N-[4,6-Dimethyl-2-(4-morpholinyl)-5-pyrimidinyl]-4-methyl-3,5-dinitrobenzolsulfonamid [German] [ACD/IUPAC Name]
N-(4,6-dimethyl-2-morpholinopyrimidin-5-yl)-4-methyl-3,5-dinitrobenzenesulfonamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 648.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 345.9±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 107.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 17.60
ACD/KOC (pH 5.5): 175.02
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 6.05
ACD/KOC (pH 7.4): 60.18
Polar Surface Area: 184 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 73.6±3.0 dyne/cm
Molar Volume: 300.8±3.0 cm3

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