ChemSpider 2D Image | 2-{[3-(4-Butylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(tetrahydro-2-furanylmethyl)acetamide | C27H33N3O3S2

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

  • Molecular FormulaC27H33N3O3S2
  • Average mass511.699 Da
  • Monoisotopic mass511.196320 Da
  • ChemSpider ID3778156

More details:

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

2-{[3-(4-Butylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(tetrahydro-2-furanylmethyl)acetamid [German] [ACD/IUPAC Name]
2-{[3-(4-Butylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(tetrahydro-2-furanylmethyl)acetamide [ACD/IUPAC Name]
2-{[3-(4-Butylphényl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothiéno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(tétrahydro-2-furanylméthyl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[3-(4-butylphenyl)-3,4,5,6,7,8-hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl]thio]-N-[(tetrahydro-2-furanyl)methyl]- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.690
Molar Refractivity: 142.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3502.12
ACD/KOC (pH 5.5): 11984.67
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3502.12
ACD/KOC (pH 7.4): 11984.69
Polar Surface Area: 125 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 373.6±7.0 cm3

Click to predict properties on the Chemicalize site


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