ChemSpider 2D Image | 5-{[(3-Cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione | C23H23N7O5

5-{[(3-Cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione

  • Molecular FormulaC23H23N7O5
  • Average mass477.473 Da
  • Monoisotopic mass477.176056 Da
  • ChemSpider ID21471544

More details:






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

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[[(3-cyclohexyl-1,2,3,4-tetrahydro-2,4-dioxobenzo[g]pteridin-8-yl)amino]methylene]-1,3-dimethyl- [ACD/Index Name]
5-{[(3-Cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]methylen}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidintrion [German] [ACD/IUPAC Name]
5-{[(3-Cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]methylene}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione [ACD/IUPAC Name]
5-{[(3-Cyclohexyl-2,4-dioxo-1,2,3,4-tétrahydrobenzo[g]ptéridin-8-yl)amino]méthylène}-1,3-diméthyl-2,4,6(1H,3H,5H)-pyrimidinetrione [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.742
Molar Refractivity: 125.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.44
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 14.45
ACD/KOC (pH 5.5): 234.59
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 7.41
ACD/KOC (pH 7.4): 120.37
Polar Surface Area: 145 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 88.6±3.0 dyne/cm
Molar Volume: 310.2±3.0 cm3

Click to predict properties on the Chemicalize site






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