ChemSpider 2D Image | N-{2-[4-(4-Methoxyphenyl)-6-oxo-1(6H)-pyrimidinyl]ethyl}-4-methyl-3,5-dinitrobenzenesulfonamide | C20H19N5O8S

N-{2-[4-(4-Methoxyphenyl)-6-oxo-1(6H)-pyrimidinyl]ethyl}-4-methyl-3,5-dinitrobenzenesulfonamide

  • Molecular FormulaC20H19N5O8S
  • Average mass489.459 Da
  • Monoisotopic mass489.095428 Da
  • ChemSpider ID39339584

More details:

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

Benzenesulfonamide, N-[2-[4-(4-methoxyphenyl)-6-oxo-1(6H)-pyrimidinyl]ethyl]-4-methyl-3,5-dinitro- [ACD/Index Name]
N-{2-[4-(4-Methoxyphenyl)-6-oxo-1(6H)-pyrimidinyl]ethyl}-4-methyl-3,5-dinitrobenzenesulfonamide [ACD/IUPAC Name]
N-{2-[4-(4-Méthoxyphényl)-6-oxo-1(6H)-pyrimidinyl]éthyl}-4-méthyl-3,5-dinitrobenzènesulfonamide [French] [ACD/IUPAC Name]
N-{2-[4-(4-Methoxyphenyl)-6-oxo-1(6H)-pyrimidinyl]ethyl}-4-methyl-3,5-dinitrobenzolsulfonamid [German] [ACD/IUPAC Name]
N-(2-(4-(4-methoxyphenyl)-6-oxopyrimidin-1(6H)-yl)ethyl)-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: 679.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 364.7±34.3 °C
Index of Refraction: 1.669
Molar Refractivity: 120.1±0.5 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 51.08
ACD/KOC (pH 5.5): 581.21
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 50.24
ACD/KOC (pH 7.4): 571.69
Polar Surface Area: 188 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 66.1±7.0 dyne/cm
Molar Volume: 321.9±7.0 cm3

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