ChemSpider 2D Image | N-{3-[Ethyl(3-methylphenyl)amino]propyl}-3-[7-(2-methyl-2-propanyl)-4-oxo-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]propanamide | C29H40N4O2S

N-{3-[Ethyl(3-methylphenyl)amino]propyl}-3-[7-(2-methyl-2-propanyl)-4-oxo-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]propanamide

  • Molecular FormulaC29H40N4O2S
  • Average mass508.719 Da
  • Monoisotopic mass508.287201 Da
  • ChemSpider ID20386082

More details:

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

[1]Benzothieno[2,3-d]pyrimidine-2-propanamide, 7-(1,1-dimethylethyl)-N-[3-[ethyl(3-methylphenyl)amino]propyl]-3,4,5,6,7,8-hexahydro-4-oxo- [ACD/Index Name]
N-{3-[Ethyl(3-methylphenyl)amino]propyl}-3-[7-(2-methyl-2-propanyl)-4-oxo-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]propanamid [German] [ACD/IUPAC Name]
N-{3-[Ethyl(3-methylphenyl)amino]propyl}-3-[7-(2-methyl-2-propanyl)-4-oxo-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]propanamide [ACD/IUPAC Name]
N-{3-[Éthyl(3-méthylphényl)amino]propyl}-3-[7-(2-méthyl-2-propanyl)-4-oxo-1,4,5,6,7,8-hexahydro[1]benzothiéno[2,3-d]pyrimidin-2-yl]propanamide [French] [ACD/IUPAC Name]
3-(7-tert-butyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}propanamide
3-(7-tert-Butyl-4-oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]thieno[2,3-d]pyrimidin-2-yl)-N-[3-(ethyl-m-tolyl-amino)-propyl]-propionamide

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.624
Molar Refractivity: 148.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 2147.59
ACD/KOC (pH 5.5): 5136.18
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 11646.58
ACD/KOC (pH 7.4): 27853.97
Polar Surface Area: 102 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 44.8±7.0 dyne/cm
Molar Volume: 419.8±7.0 cm3

Click to predict properties on the Chemicalize site


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