ChemSpider 2D Image | N-[3-(Diethylsulfamoyl)-4-methylphenyl]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanamide | C21H28N6O5S

N-[3-(Diethylsulfamoyl)-4-methylphenyl]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanamide

  • Molecular FormulaC21H28N6O5S
  • Average mass476.549 Da
  • Monoisotopic mass476.184174 Da
  • ChemSpider ID22254808

More details:

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

7H-Purine-7-acetamide, N-[3-[(diethylamino)sulfonyl]-4-methylphenyl]-1,2,3,6-tetrahydro-α,1,3-trimethyl-2,6-dioxo- [ACD/Index Name]
N-[3-(Diethylsulfamoyl)-4-methylphenyl]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanamid [German] [ACD/IUPAC Name]
N-[3-(Diethylsulfamoyl)-4-methylphenyl]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanamide [ACD/IUPAC Name]
N-[3-(Diéthylsulfamoyl)-4-méthylphényl]-2-(1,3-diméthyl-2,6-dioxo-1,2,3,6-tétrahydro-7H-purin-7-yl)propanamide [French] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.645
Molar Refractivity: 124.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 18.99
ACD/KOC (pH 5.5): 286.28
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 18.99
ACD/KOC (pH 7.4): 286.28
Polar Surface Area: 133 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 344.3±7.0 cm3

Click to predict properties on the Chemicalize site


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