ChemSpider 2D Image | N-(2-Aminoethyl)-N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]-2-pyridinyl}methanesulfonamide | C20H28N8O2S

N-(2-Aminoethyl)-N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]-2-pyridinyl}methanesulfonamide

  • Molecular FormulaC20H28N8O2S
  • Average mass444.554 Da
  • Monoisotopic mass444.205597 Da
  • ChemSpider ID26326515

More details:

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

Methanesulfonamide, N-(2-aminoethyl)-N-[5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]-2-pyridinyl]- [ACD/Index Name]
N-(2-Aminoethyl)-N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]-2-pyridinyl}methanesulfonamide [ACD/IUPAC Name]
N-(2-Aminoéthyl)-N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]-2-pyridinyl}méthanesulfonamide [French] [ACD/IUPAC Name]
N-(2-Aminoethyl)-N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]-2-pyridinyl}methansulfonamid [German] [ACD/IUPAC Name]
N-(2-Aminoethyl)-N-{5-[(1-Cycloheptyl-1h-Pyrazolo[3,4-D]pyrimidin-6-Yl)amino]pyridin-2-Yl}methanesulfonamide
D36

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

Density: 1.5±0.1 g/cm3
Boiling Point: 695.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 374.6±34.3 °C
Index of Refraction: 1.721
Molar Refractivity: 119.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.54
ACD/LogD (pH 5.5): -1.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.32
Polar Surface Area: 140 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 64.7±7.0 dyne/cm
Molar Volume: 301.6±7.0 cm3

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