ChemSpider 2D Image | N-[4-(Dimethylamino)butyl]-4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)benzenesulfonamide | C23H34N6O4S

N-[4-(Dimethylamino)butyl]-4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)benzenesulfonamide

  • Molecular FormulaC23H34N6O4S
  • Average mass490.619 Da
  • Monoisotopic mass490.236237 Da
  • ChemSpider ID25040029

More details:

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

Benzenesulfonamide, N-[4-(dimethylamino)butyl]-4-(2,3,6,9-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)- [ACD/Index Name]
N-[4-(Dimethylamino)butyl]-4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)benzenesulfonamide [ACD/IUPAC Name]
N-[4-(Diméthylamino)butyl]-4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tétrahydro-1H-purin-8-yl)benzènesulfonamide [French] [ACD/IUPAC Name]
N-[4-(Dimethylamino)butyl]-4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)benzolsulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 691.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 371.8±34.3 °C
Index of Refraction: 1.571
Molar Refractivity: 130.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.74
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 1.15
ACD/KOC (pH 7.4): 8.46
Polar Surface Area: 127 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 396.8±3.0 cm3

Click to predict properties on the Chemicalize site


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