ChemSpider 2D Image | 1,1'-(1,3-Propanediyl)bis[5-benzyl-6-(methylsulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one] | C29H28N8O2S2

1,1'-(1,3-Propanediyl)bis[5-benzyl-6-(methylsulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one]

  • Molecular FormulaC29H28N8O2S2
  • Average mass584.715 Da
  • Monoisotopic mass584.177673 Da
  • ChemSpider ID21134769

More details:

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

1,1'-(1,3-Propandiyl)bis[5-benzyl-6-(methylsulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-on] [German] [ACD/IUPAC Name]
1,1'-(1,3-Propanediyl)bis[5-benzyl-6-(methylsulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one] [ACD/IUPAC Name]
1,1'-(1,3-Propanediyl)bis[5-benzyl-6-(méthylsulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one] [French] [ACD/IUPAC Name]
4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,1'-(1,3-propanediyl)bis[1,5-dihydro-6-(methylthio)-5-(phenylmethyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 830.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.6±3.0 kJ/mol
Flash Point: 455.8±37.1 °C
Index of Refraction: 1.740
Molar Refractivity: 165.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 205.26
ACD/KOC (pH 5.5): 1573.12
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 205.26
ACD/KOC (pH 7.4): 1573.12
Polar Surface Area: 152 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 62.4±7.0 dyne/cm
Molar Volume: 411.3±7.0 cm3

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