ChemSpider 2D Image | 2-(6-Benzyl-1-ethyl-3-methyl-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide | C29H35N5O5

2-(6-Benzyl-1-ethyl-3-methyl-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide

  • Molecular FormulaC29H35N5O5
  • Average mass533.619 Da
  • Monoisotopic mass533.263794 Da
  • ChemSpider ID28947526

More details:

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

2-(6-Benzyl-1-ethyl-3-methyl-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamid [German] [ACD/IUPAC Name]
2-(6-Benzyl-1-ethyl-3-methyl-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide [ACD/IUPAC Name]
2-(6-Benzyl-1-éthyl-3-méthyl-5,7-dioxo-1,5,6,7-tétrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl)-N-[2-(3,4-diéthoxyphényl)éthyl]acétamide [French] [ACD/IUPAC Name]
4H-Pyrazolo[4,3-d]pyrimidine-4-acetamide, N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-1,5,6,7-tetrahydro-3-methyl-5,7-dioxo-6-(phenylmethyl)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.611
Molar Refractivity: 148.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 320.80
ACD/KOC (pH 5.5): 2165.52
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 320.80
ACD/KOC (pH 7.4): 2165.56
Polar Surface Area: 106 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 427.8±7.0 cm3

Click to predict properties on the Chemicalize site


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