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-(3-phenylpropyl)pentanamide | C35H40N4O4

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-(3-phenylpropyl)pentanamide

  • Molecular FormulaC35H40N4O4
  • Average mass580.716 Da
  • Monoisotopic mass580.304932 Da
  • ChemSpider ID29225633

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-(3-phenylpropyl)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-(3-phenylpropyl)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-(3-phénylpropyl)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-4-(3-phenoxyphenyl)-N-(3-phenylpropyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 836.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.5±3.0 kJ/mol
Flash Point: 459.6±34.3 °C
Index of Refraction: 1.638
Molar Refractivity: 167.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.72
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 3595.66
ACD/KOC (pH 5.5): 12212.95
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 3595.17
ACD/KOC (pH 7.4): 12211.26
Polar Surface Area: 91 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 465.8±5.0 cm3

Click to predict properties on the Chemicalize site


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