ChemSpider 2D Image | 2-{[7-(3,4-Diethoxybenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(2-methyl-2-propanyl)acetamide | C24H33N5O5S

2-{[7-(3,4-Diethoxybenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(2-methyl-2-propanyl)acetamide

  • Molecular FormulaC24H33N5O5S
  • Average mass503.614 Da
  • Monoisotopic mass503.220245 Da
  • ChemSpider ID1061708

More details:

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

2-{[7-(3,4-Diethoxybenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(2-methyl-2-propanyl)acetamid [German] [ACD/IUPAC Name]
2-{[7-(3,4-Diethoxybenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(2-methyl-2-propanyl)acetamide [ACD/IUPAC Name]
2-{[7-(3,4-Diéthoxybenzyl)-1,3-diméthyl-2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-8-yl]sulfanyl}-N-(2-méthyl-2-propanyl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[7-[(3,4-diethoxyphenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]-N-(1,1-dimethylethyl)- [ACD/Index Name]
2-{7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-2,6-dioxo(1,3,7-trihydropurin-8-ylthio)}-N-(tert-butyl)acetamide
N-(tert-butyl)-2-{[7-(3,4-diethoxybenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]thio}acetamide
N-tert-Butyl-2-[7-(3,4-diethoxy-benzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl]-acetamide
N-tert-butyl-2-{[7-(3,4-diethoxybenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide

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

A3141/0132846 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.607
Molar Refractivity: 135.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 394.92
ACD/KOC (pH 5.5): 2512.98
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 394.93
ACD/KOC (pH 7.4): 2512.98
Polar Surface Area: 131 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 393.4±7.0 cm3

Click to predict properties on the Chemicalize site


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