ChemSpider 2D Image | 4-(Diethylsulfamoyl)-N-(2-{4-[(2-thienylmethyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}ethyl)benzamide | C23H27N7O3S2

4-(Diethylsulfamoyl)-N-(2-{4-[(2-thienylmethyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}ethyl)benzamide

  • Molecular FormulaC23H27N7O3S2
  • Average mass513.636 Da
  • Monoisotopic mass513.161682 Da
  • ChemSpider ID39324252

More details:

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

4-(Diethylsulfamoyl)-N-(2-{4-[(2-thienylmethyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}ethyl)benzamid [German] [ACD/IUPAC Name]
4-(Diethylsulfamoyl)-N-(2-{4-[(2-thienylmethyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}ethyl)benzamide [ACD/IUPAC Name]
4-(Diéthylsulfamoyl)-N-(2-{4-[(2-thiénylméthyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}éthyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[(diethylamino)sulfonyl]-N-[2-[4-[(2-thienylmethyl)amino]-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]- [ACD/Index Name]
4-(N,N-diethylsulfamoyl)-N-(2-(4-((thiophen-2-ylmethyl)amino)-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: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.693
Molar Refractivity: 139.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 78.63
ACD/KOC (pH 5.5): 786.95
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 80.24
ACD/KOC (pH 7.4): 803.06
Polar Surface Area: 159 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 363.8±7.0 cm3

Click to predict properties on the Chemicalize site


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