ChemSpider 2D Image | N-Cyclohexyl-N-methyl-2-({4-oxo-3-[(2S)-tetrahydro-2-furanylmethyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamide | C24H33N3O3S2

N-Cyclohexyl-N-methyl-2-({4-oxo-3-[(2S)-tetrahydro-2-furanylmethyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamide

  • Molecular FormulaC24H33N3O3S2
  • Average mass475.667 Da
  • Monoisotopic mass475.196320 Da
  • ChemSpider ID62310525
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Acetamide, N-cyclohexyl-2-[[3,4,5,6,7,8-hexahydro-4-oxo-3-[[(2S)-tetrahydro-2-furanyl]methyl][1]benzothieno[2,3-d]pyrimidin-2-yl]thio]-N-methyl- [ACD/Index Name]
N-Cyclohexyl-N-methyl-2-({4-oxo-3-[(2S)-tetrahydro-2-furanylmethyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamid [German] [ACD/IUPAC Name]
N-Cyclohexyl-N-methyl-2-({4-oxo-3-[(2S)-tetrahydro-2-furanylmethyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamide [ACD/IUPAC Name]
N-Cyclohexyl-N-méthyl-2-({4-oxo-3-[(2S)-tétrahydro-2-furanylméthyl]-3,4,5,6,7,8-hexahydro[1]benzothiéno[2,3-d]pyrimidin-2-yl}sulfanyl)acétamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 682.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.6±34.3 °C
Index of Refraction: 1.713
Molar Refractivity: 129.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 850.57
ACD/KOC (pH 5.5): 4351.99
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 850.57
ACD/KOC (pH 7.4): 4351.99
Polar Surface Area: 116 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 58.5±7.0 dyne/cm
Molar Volume: 331.5±7.0 cm3

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