ChemSpider 2D Image | N-({4-[(4,6-Dimethyl-2-pyrimidinyl)sulfamoyl]phenyl}carbamothioyl)-4-(2-methyl-2-propanyl)benzenesulfonamide | C23H27N5O4S3

N-({4-[(4,6-Dimethyl-2-pyrimidinyl)sulfamoyl]phenyl}carbamothioyl)-4-(2-methyl-2-propanyl)benzenesulfonamide

  • Molecular FormulaC23H27N5O4S3
  • Average mass533.687 Da
  • Monoisotopic mass533.122498 Da
  • ChemSpider ID66454361

More details:

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

Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-[[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]thioxomethyl]- [ACD/Index Name]
N-({4-[(4,6-Dimethyl-2-pyrimidinyl)sulfamoyl]phenyl}carbamothioyl)-4-(2-methyl-2-propanyl)benzenesulfonamide [ACD/IUPAC Name]
N-({4-[(4,6-Diméthyl-2-pyrimidinyl)sulfamoyl]phényl}carbamothioyl)-4-(2-méthyl-2-propanyl)benzènesulfonamide [French] [ACD/IUPAC Name]
N-({4-[(4,6-Dimethyl-2-pyrimidinyl)sulfamoyl]phenyl}carbamothioyl)-4-(2-methyl-2-propanyl)benzolsulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 698.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 376.4±34.3 °C
Index of Refraction: 1.650
Molar Refractivity: 139.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 12.12
ACD/KOC (pH 5.5): 57.75
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 5.65
ACD/KOC (pH 7.4): 26.93
Polar Surface Area: 179 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 68.3±3.0 dyne/cm
Molar Volume: 383.7±3.0 cm3

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