ChemSpider 2D Image | N~4~-(1H-Benzimidazol-6-yl)-1-phenyl-N~6~-(2-thienylmethyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine | C23H18N8S

N4-(1H-Benzimidazol-6-yl)-1-phenyl-N6-(2-thienylmethyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

  • Molecular FormulaC23H18N8S
  • Average mass438.508 Da
  • Monoisotopic mass438.137512 Da
  • ChemSpider ID125760182

More details:

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

1H-Pyrazolo[3,4-d]pyrimidine-4,6-diamine, N4-1H-benzimidazol-6-yl-1-phenyl-N6-(2-thienylmethyl)- [ACD/Index Name]
N4-(1H-Benzimidazol-6-yl)-1-phenyl-N6-(2-thienylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4,6-diamin [German] [ACD/IUPAC Name]
N4-(1H-Benzimidazol-6-yl)-1-phenyl-N6-(2-thienylmethyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine [ACD/IUPAC Name]
N4-(1H-Benzimidazol-6-yl)-1-phényl-N6-(2-thiénylméthyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 756.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 411.4±35.7 °C
Index of Refraction: 1.823
Molar Refractivity: 126.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 215.77
ACD/KOC (pH 5.5): 1383.99
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 380.29
ACD/KOC (pH 7.4): 2439.23
Polar Surface Area: 125 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 69.2±7.0 dyne/cm
Molar Volume: 289.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement