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

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

  • Molecular FormulaC17H20N6O7S
  • Average mass452.442 Da
  • Monoisotopic mass452.111420 Da
  • ChemSpider ID58426016

More details:

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

4-Methyl-N-{[4-methyl-6-(4-morpholinyl)-2-pyrimidinyl]methyl}-3,5-dinitrobenzenesulfonamide [ACD/IUPAC Name]
4-Méthyl-N-{[4-méthyl-6-(4-morpholinyl)-2-pyrimidinyl]méthyl}-3,5-dinitrobenzènesulfonamide [French] [ACD/IUPAC Name]
4-Methyl-N-{[4-methyl-6-(4-morpholinyl)-2-pyrimidinyl]methyl}-3,5-dinitrobenzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 4-methyl-N-[[4-methyl-6-(4-morpholinyl)-2-pyrimidinyl]methyl]-3,5-dinitro- [ACD/Index Name]
4-methyl-N-((4-methyl-6-morpholinopyrimidin-2-yl)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: 650.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 347.1±34.3 °C
Index of Refraction: 1.619
Molar Refractivity: 107.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.29
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.46
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.50
Polar Surface Area: 184 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 68.7±3.0 dyne/cm
Molar Volume: 306.7±3.0 cm3

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