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

2-Chloro-4-(2,6-dimethyl-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 ID30868343

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-(2,6-dimethyl-1-piperidinyl)-5,6,7,8-tetrahydro- [ACD/Index Name]
2-Chlor-4-(2,6-dimethyl-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-(2,6-dimethyl-1-piperidinyl)-7-(2-methyl-2-propanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine [ACD/IUPAC Name]
2-Chloro-4-(2,6-diméthyl-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: 491.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 251.2±28.7 °C
Index of Refraction: 1.584
Molar Refractivity: 112.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 8.04
ACD/LogD (pH 5.5): 7.24
ACD/BCF (pH 5.5): 183875.14
ACD/KOC (pH 5.5): 199510.77
ACD/LogD (pH 7.4): 7.28
ACD/BCF (pH 7.4): 199109.42
ACD/KOC (pH 7.4): 216040.47
Polar Surface Area: 57 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 336.8±3.0 cm3

Click to predict properties on the Chemicalize site


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