ChemSpider 2D Image | N-[2-(Diethylamino)ethyl]-4-{[7-(2-methyl-2-propanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]amino}benzamide | C27H37N5OS

N-[2-(Diethylamino)ethyl]-4-{[7-(2-methyl-2-propanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]amino}benzamide

  • Molecular FormulaC27H37N5OS
  • Average mass479.681 Da
  • Monoisotopic mass479.271881 Da
  • ChemSpider ID27295059

More details:

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

Benzamide, N-[2-(diethylamino)ethyl]-4-[[7-(1,1-dimethylethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]amino]- [ACD/Index Name]
N-[2-(Diethylamino)ethyl]-4-{[7-(2-methyl-2-propanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]amino}benzamid [German] [ACD/IUPAC Name]
N-[2-(Diethylamino)ethyl]-4-{[7-(2-methyl-2-propanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]amino}benzamide [ACD/IUPAC Name]
N-[2-(Diéthylamino)éthyl]-4-{[7-(2-méthyl-2-propanyl)-5,6,7,8-tétrahydro[1]benzothiéno[2,3-d]pyrimidin-4-yl]amino}benzamide [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: 661.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 353.9±31.5 °C
Index of Refraction: 1.620
Molar Refractivity: 143.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.96
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 15.26
ACD/KOC (pH 5.5): 27.93
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 411.78
ACD/KOC (pH 7.4): 753.63
Polar Surface Area: 98 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 408.7±3.0 cm3

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