ChemSpider 2D Image | 2-Chloro-N-cyclohexyl-N-methyl-7-(2-methyl-2-propanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine | C21H30ClN3S

2-Chloro-N-cyclohexyl-N-methyl-7-(2-methyl-2-propanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine

  • Molecular FormulaC21H30ClN3S
  • Average mass392.001 Da
  • Monoisotopic mass391.184906 Da
  • ChemSpider ID30868352

More details:

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

[1]Benzothieno[2,3-d]pyrimidin-4-amine, 2-chloro-N-cyclohexyl-7-(1,1-dimethylethyl)-5,6,7,8-tetrahydro-N-methyl- [ACD/Index Name]
2-Chlor-N-cyclohexyl-N-methyl-7-(2-methyl-2-propanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
2-Chloro-N-cyclohexyl-N-methyl-7-(2-methyl-2-propanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine [ACD/IUPAC Name]
2-Chloro-N-cyclohexyl-N-méthyl-7-(2-méthyl-2-propanyl)-5,6,7,8-tétrahydro[1]benzothiéno[2,3-d]pyrimidin-4-amine [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±27.0 °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: 254.7±23.7 °C
Index of Refraction: 1.618
Molar Refractivity: 113.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 9.27
ACD/LogD (pH 5.5): 7.42
ACD/BCF (pH 5.5): 252218.42
ACD/KOC (pH 5.5): 249912.55
ACD/LogD (pH 7.4): 7.46
ACD/BCF (pH 7.4): 274039.88
ACD/KOC (pH 7.4): 271534.50
Polar Surface Area: 57 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 325.0±3.0 cm3

Click to predict properties on the Chemicalize site


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