ChemSpider 2D Image | 2-Chloro-4-(2-ethyl-1-piperidinyl)-7-(2-methyl-2-propanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine | C21H30ClN3S

2-Chloro-4-(2-ethyl-1-piperidinyl)-7-(2-methyl-2-propanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

  • Molecular FormulaC21H30ClN3S
  • Average mass392.001 Da
  • Monoisotopic mass391.184906 Da
  • ChemSpider ID30868337

More details:

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

[1]Benzothieno[2,3-d]pyrimidine, 2-chloro-7-(1,1-dimethylethyl)-4-(2-ethyl-1-piperidinyl)-5,6,7,8-tetrahydro- [ACD/Index Name]
2-Chlor-4-(2-ethyl-1-piperidinyl)-7-(2-methyl-2-propanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin [German] [ACD/IUPAC Name]
2-Chloro-4-(2-ethyl-1-piperidinyl)-7-(2-methyl-2-propanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine [ACD/IUPAC Name]
2-Chloro-4-(2-éthyl-1-pipéridinyl)-7-(2-méthyl-2-propanyl)-5,6,7,8-tétrahydro[1]benzothiéno[2,3-d]pyrimidine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 497.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 254.8±28.7 °C
Index of Refraction: 1.589
Molar Refractivity: 112.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 8.08
ACD/LogD (pH 5.5): 7.28
ACD/BCF (pH 5.5): 195172.72
ACD/KOC (pH 5.5): 208164.00
ACD/LogD (pH 7.4): 7.31
ACD/BCF (pH 7.4): 211506.44
ACD/KOC (pH 7.4): 225584.94
Polar Surface Area: 57 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 334.3±3.0 cm3

Click to predict properties on the Chemicalize site


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