ChemSpider 2D Image | 2-({2-[(3R,5S)-3,5-Dimethyl-1-piperidinyl]-2-oxoethyl}sulfanyl)-3-[(2S)-tetrahydro-2-furanylmethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one | C24H33N3O3S2

2-({2-[(3R,5S)-3,5-Dimethyl-1-piperidinyl]-2-oxoethyl}sulfanyl)-3-[(2S)-tetrahydro-2-furanylmethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

  • Molecular FormulaC24H33N3O3S2
  • Average mass475.667 Da
  • Monoisotopic mass475.196320 Da
  • ChemSpider ID62317289

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-[[2-[(3R,5S)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl]thio]-5,6,7,8-tetrahydro-3-[[(2S)-tetrahydro-2-furanyl]methyl]- [ACD/Index Name]
2-({2-[(3R,5S)-3,5-Dimethyl-1-piperidinyl]-2-oxoethyl}sulfanyl)-3-[(2S)-tetrahydro-2-furanylmethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
2-({2-[(3R,5S)-3,5-Dimethyl-1-piperidinyl]-2-oxoethyl}sulfanyl)-3-[(2S)-tetrahydro-2-furanylmethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
2-({2-[(3R,5S)-3,5-Diméthyl-1-pipéridinyl]-2-oxoéthyl}sulfanyl)-3-[(2S)-tétrahydro-2-furanylméthyl]-5,6,7,8-tétrahydro[1]benzothiéno[2,3-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 680.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 365.5±34.3 °C
Index of Refraction: 1.714
Molar Refractivity: 129.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1335.51
ACD/KOC (pH 5.5): 6010.87
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1335.51
ACD/KOC (pH 7.4): 6010.88
Polar Surface Area: 116 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 57.2±7.0 dyne/cm
Molar Volume: 330.7±7.0 cm3

Click to predict properties on the Chemicalize site


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