ChemSpider 2D Image | 3,4,5-Triethoxy-N-{2-[4-(isopropylamino)-6-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}benzamide | C24H34N6O4S

3,4,5-Triethoxy-N-{2-[4-(isopropylamino)-6-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}benzamide

  • Molecular FormulaC24H34N6O4S
  • Average mass502.630 Da
  • Monoisotopic mass502.236237 Da
  • ChemSpider ID20998597

More details:

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

3,4,5-Triethoxy-N-{2-[4-(isopropylamino)-6-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}benzamid [German] [ACD/IUPAC Name]
3,4,5-Triethoxy-N-{2-[4-(isopropylamino)-6-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}benzamide [ACD/IUPAC Name]
3,4,5-Triéthoxy-N-{2-[4-(isopropylamino)-6-(méthylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]éthyl}benzamide [French] [ACD/IUPAC Name]
Benzamide, 3,4,5-triethoxy-N-[2-[4-[(1-methylethyl)amino]-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]- [ACD/Index Name]
3,4,5-triethoxy-N-(2-(4-(isopropylamino)-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)benzamide

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.610
Molar Refractivity: 136.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 323.36
ACD/KOC (pH 5.5): 2172.08
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 326.39
ACD/KOC (pH 7.4): 2192.44
Polar Surface Area: 138 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 44.7±7.0 dyne/cm
Molar Volume: 393.3±7.0 cm3

Click to predict properties on the Chemicalize site


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