ChemSpider 2D Image | 2-(1-{[4-(2-Furylmethyl)-5-(1-piperidinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine | C22H27N7OS2

2-(1-{[4-(2-Furylmethyl)-5-(1-piperidinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

  • Molecular FormulaC22H27N7OS2
  • Average mass469.626 Da
  • Monoisotopic mass469.171844 Da
  • ChemSpider ID33122725

More details:

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

2-(1-{[4-(2-Furylmethyl)-5-(1-piperidinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
2-(1-{[4-(2-Furylmethyl)-5-(1-piperidinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine [ACD/IUPAC Name]
2-(1-{[4-(2-Furylméthyl)-5-(1-pipéridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}éthyl)-5,6-diméthylthiéno[2,3-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidin-4-amine, 2-[1-[[4-(2-furanylmethyl)-5-(1-piperidinyl)-4H-1,2,4-triazol-3-yl]thio]ethyl]-5,6-dimethyl- [ACD/Index 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: 646.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 344.8±34.3 °C
Index of Refraction: 1.764
Molar Refractivity: 129.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 661.19
ACD/KOC (pH 5.5): 3075.90
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1177.33
ACD/KOC (pH 7.4): 5477.05
Polar Surface Area: 152 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 61.7±7.0 dyne/cm
Molar Volume: 314.0±7.0 cm3

Click to predict properties on the Chemicalize site


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