ChemSpider 2D Image | N-[1-(Adamantan-1-yl)ethyl]-2-{[3-allyl-5-(2-furyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide | C27H31N3O3S2

N-[1-(Adamantan-1-yl)ethyl]-2-{[3-allyl-5-(2-furyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide

  • Molecular FormulaC27H31N3O3S2
  • Average mass509.683 Da
  • Monoisotopic mass509.180695 Da
  • ChemSpider ID4146148

More details:

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

Acetamide, 2-[[5-(2-furanyl)-3,4-dihydro-4-oxo-3-(2-propen-1-yl)thieno[2,3-d]pyrimidin-2-yl]thio]-N-(1-tricyclo[3.3.1.13,7]dec-1-ylethyl)- [ACD/Index Name]
N-[1-(Adamantan-1-yl)ethyl]-2-{[3-allyl-5-(2-furyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamid [German] [ACD/IUPAC Name]
N-[1-(Adamantan-1-yl)ethyl]-2-{[3-allyl-5-(2-furyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide [ACD/IUPAC Name]
N-[1-(Adamantan-1-yl)éthyl]-2-{[3-allyl-5-(2-furyl)-4-oxo-3,4-dihydrothiéno[2,3-d]pyrimidin-2-yl]sulfanyl}acétamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.738
Molar Refractivity: 140.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2508.63
ACD/KOC (pH 5.5): 9438.70
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2508.63
ACD/KOC (pH 7.4): 9438.71
Polar Surface Area: 128 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 349.5±7.0 cm3

Click to predict properties on the Chemicalize site


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