ChemSpider 2D Image | 4-[4-(1H-Benzimidazol-2-ylmethyl)-1-piperazinyl]-5,6-dimethylthieno[2,3-d]pyrimidine | C20H22N6S

4-[4-(1H-Benzimidazol-2-ylmethyl)-1-piperazinyl]-5,6-dimethylthieno[2,3-d]pyrimidine

  • Molecular FormulaC20H22N6S
  • Average mass378.494 Da
  • Monoisotopic mass378.162659 Da
  • ChemSpider ID21684811

More details:

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

4-[4-(1H-Benzimidazol-2-ylmethyl)-1-piperazinyl]-5,6-dimethylthieno[2,3-d]pyrimidin [German] [ACD/IUPAC Name]
4-[4-(1H-Benzimidazol-2-ylmethyl)-1-piperazinyl]-5,6-dimethylthieno[2,3-d]pyrimidine [ACD/IUPAC Name]
4-[4-(1H-Benzimidazol-2-ylméthyl)-1-pipérazinyl]-5,6-diméthylthiéno[2,3-d]pyrimidine [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidine, 4-[4-(1H-benzimidazol-2-ylmethyl)-1-piperazinyl]-5,6-dimethyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 645.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.4±31.5 °C
Index of Refraction: 1.731
Molar Refractivity: 111.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 27.25
ACD/KOC (pH 5.5): 213.68
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 181.00
ACD/KOC (pH 7.4): 1419.45
Polar Surface Area: 89 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 74.3±3.0 dyne/cm
Molar Volume: 279.3±3.0 cm3

Click to predict properties on the Chemicalize site


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