ChemSpider 2D Image | 4-({1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzenesulfonamide | C24H21N5O6S2

4-({1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzenesulfonamide

  • Molecular FormulaC24H21N5O6S2
  • Average mass539.583 Da
  • Monoisotopic mass539.093323 Da
  • ChemSpider ID60083465

More details:

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

4-({1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzenesulfonamide [ACD/IUPAC Name]
4-({1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-[(4,6-diméthyl-2-pyrimidinyl)sulfanyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzènesulfonamide [French] [ACD/IUPAC Name]
4-({1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}amino)benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4,6-dimethyl-2-pyrimidinyl)thio]-2,5-dihydro-2,5-dioxo-1H-pyrrol-3-yl]amino]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 773.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.6±3.0 kJ/mol
Flash Point: 421.6±35.7 °C
Index of Refraction: 1.746
Molar Refractivity: 135.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 2.50
ACD/KOC (pH 5.5): 67.08
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 2.50
ACD/KOC (pH 7.4): 66.96
Polar Surface Area: 187 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 94.1±5.0 dyne/cm
Molar Volume: 334.8±5.0 cm3

Click to predict properties on the Chemicalize site


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