ChemSpider 2D Image | 1-(7,7-Dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)-N-{[4-(2-thienyl)tetrahydro-2H-pyran-4-yl]methyl}methanesulfonamide | C20H29NO4S2

1-(7,7-Dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)-N-{[4-(2-thienyl)tetrahydro-2H-pyran-4-yl]methyl}methanesulfonamide

  • Molecular FormulaC20H29NO4S2
  • Average mass411.579 Da
  • Monoisotopic mass411.153809 Da
  • ChemSpider ID30760140

More details:

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

1-(7,7-Dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)-N-{[4-(2-thienyl)tetrahydro-2H-pyran-4-yl]methyl}methanesulfonamide [ACD/IUPAC Name]
1-(7,7-Diméthyl-2-oxobicyclo[2.2.1]hept-1-yl)-N-{[4-(2-thiényl)tétrahydro-2H-pyran-4-yl]méthyl}méthanesulfonamide [French] [ACD/IUPAC Name]
1-(7,7-Dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)-N-{[4-(2-thienyl)tetrahydro-2H-pyran-4-yl]methyl}methansulfonamid [German] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptane-1-methanesulfonamide, 7,7-dimethyl-2-oxo-N-[[tetrahydro-4-(2-thienyl)-2H-pyran-4-yl]methyl]- [ACD/Index Name]
1-(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)-N-((4-(thiophen-2-yl)tetrahydro-2H-pyran-4-yl)methyl)methanesulfonamide
1-{7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl}-N-{[4-(thiophen-2-yl)oxan-4-yl]methyl}methanesulfonamide
1797074-04-4 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 555.7±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 289.9±30.9 °C
Index of Refraction: 1.567
Molar Refractivity: 107.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 71.01
ACD/KOC (pH 5.5): 735.88
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 70.96
ACD/KOC (pH 7.4): 735.31
Polar Surface Area: 109 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 327.9±3.0 cm3

Click to predict properties on the Chemicalize site


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