ChemSpider 2D Image | 2-[1-Ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methyl-N-(2-phenoxyethyl)pentanamide | C34H38N4O5

2-[1-Ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methyl-N-(2-phenoxyethyl)pentanamide

  • Molecular FormulaC34H38N4O5
  • Average mass582.689 Da
  • Monoisotopic mass582.284241 Da
  • ChemSpider ID29225553

More details:

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

2-[1-Ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methyl-N-(2-phenoxyethyl)pentanamid [German] [ACD/IUPAC Name]
2-[1-Ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methyl-N-(2-phenoxyethyl)pentanamide [ACD/IUPAC Name]
2-[1-Éthyl-2,5-dioxo-4-(3-phénoxyphényl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-méthyl-N-(2-phénoxyéthyl)pentanamide [French] [ACD/IUPAC Name]
6H-Pyrrolo[3,4-d]pyrimidine-6-acetamide, 1-ethyl-1,2,3,4,5,7-hexahydro-α-(2-methylpropyl)-2,5-dioxo-N-(2-phenoxyethyl)-4-(3-phenoxyphenyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 846.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.0±3.0 kJ/mol
Flash Point: 465.6±34.3 °C
Index of Refraction: 1.641
Molar Refractivity: 164.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2664.25
ACD/KOC (pH 5.5): 9854.21
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2663.88
ACD/KOC (pH 7.4): 9852.83
Polar Surface Area: 100 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 60.6±5.0 dyne/cm
Molar Volume: 455.6±5.0 cm3

Click to predict properties on the Chemicalize site


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