ChemSpider 2D Image | N-{[(1R,2R,3S,4S)-3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]hept-2-yl]carbamoyl}-4-(~2~H_3_)methyl(~2~H_4_)benzenesulfonamide | C18H19D7N2O4S

N-{[(1R,2R,3S,4S)-3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]hept-2-yl]carbamoyl}-4-(2H3)methyl(2H4)benzenesulfonamide

  • Molecular FormulaC18H19D7N2O4S
  • Average mass373.518 Da
  • Monoisotopic mass373.205261 Da
  • ChemSpider ID107443024
  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

Benzene-2,3,5,6-d4-sulfonamide, N-[[[(1R,2R,3S,4S)-3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]hept-2-yl]amino]carbonyl]-4-(methyl-d3)- [ACD/Index Name]
N-{[(1R,2R,3S,4S)-3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]hept-2-yl]carbamoyl}-4-(2H3)methyl(2H4)benzenesulfonamide [ACD/IUPAC Name]
N-{[(1R,2R,3S,4S)-3-Hydroxy-4,7,7-triméthylbicyclo[2.2.1]hept-2-yl]carbamoyl}-4-(2H3)méthyl(2H4)benzènesulfonamide [French] [ACD/IUPAC Name]
N-{[(1R,2R,3S,4S)-3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]hept-2-yl]carbamoyl}-4-(2H3)methyl(2H4)benzolsulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.601
Molar Refractivity: 95.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 9.55
ACD/KOC (pH 5.5): 97.57
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.90
Polar Surface Area: 104 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 280.2±5.0 cm3

Click to predict properties on the Chemicalize site






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