ChemSpider 2D Image | 2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy]-N-(2-{[(4-methoxyphenyl)carbamothioyl]amino}ethyl)acetamide | C29H35N7O5S

2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy]-N-(2-{[(4-methoxyphenyl)carbamothioyl]amino}ethyl)acetamide

  • Molecular FormulaC29H35N7O5S
  • Average mass593.697 Da
  • Monoisotopic mass593.242065 Da
  • ChemSpider ID23109644

More details:

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

2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy]-N-(2-{[(4-methoxyphenyl)carbamothioyl]amino}ethyl)acetamid [German] [ACD/IUPAC Name]
2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy]-N-(2-{[(4-methoxyphenyl)carbamothioyl]amino}ethyl)acetamide [ACD/IUPAC Name]
2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tétrahydro-1H-purin-8-yl)phénoxy]-N-(2-{[(4-méthoxyphényl)carbamothioyl]amino}éthyl)acétamide [French] [ACD/IUPAC Name]
Acetamide, N-[2-[[mercapto[(4-methoxyphenyl)amino]methylene]amino]ethyl]-2-[4-(2,3,6,9-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenoxy]- [ACD/Index Name]
2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-N-{2-[3-(4-methoxy-phenyl)-thioureido]-ethyl}-acetamide

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: 1.653
Molar Refractivity: 161.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.73
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.08
Polar Surface Area: 180 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 440.5±7.0 cm3

Click to predict properties on the Chemicalize site


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