ChemSpider 2D Image | 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(1,1-dioxidotetrahydro-3-thiophenyl)-N-ethylpropanamide | C16H23N5O5S

2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(1,1-dioxidotetrahydro-3-thiophenyl)-N-ethylpropanamide

  • Molecular FormulaC16H23N5O5S
  • Average mass397.449 Da
  • Monoisotopic mass397.141998 Da
  • ChemSpider ID21653525

More details:






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

2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(1,1-dioxidotetrahydro-3-thiophenyl)-N-ethylpropanamid [German] [ACD/IUPAC Name]
2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(1,1-dioxidotetrahydro-3-thiophenyl)-N-ethylpropanamide [ACD/IUPAC Name]
2-(1,3-Diméthyl-2,6-dioxo-1,2,3,6-tétrahydro-7H-purin-7-yl)-N-(1,1-dioxydotétrahydro-3-thiophényl)-N-éthylpropanamide [French] [ACD/IUPAC Name]
7H-Purine-7-acetamide, N-ethyl-1,2,3,6-tetrahydro-α,1,3-trimethyl-2,6-dioxo-N-(tetrahydro-1,1-dioxido-3-thienyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 701.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 378.1±35.7 °C
Index of Refraction: 1.684
Molar Refractivity: 99.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.19
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.18
ACD/LogD (pH 7.4): -0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.18
Polar Surface Area: 121 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 61.8±7.0 dyne/cm
Molar Volume: 261.1±7.0 cm3

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