ChemSpider 2D Image | N-[12-Bromotricyclo[8.2.2.2~4,7~]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl]-1-[(1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonamide | C26H30BrNO3S

N-[12-Bromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl]-1-[(1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonamide

  • Molecular FormulaC26H30BrNO3S
  • Average mass516.490 Da
  • Monoisotopic mass515.112976 Da
  • ChemSpider ID30658679

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Bicyclo[2.2.1]heptane-1-methanesulfonamide, N-(12-bromotricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaen-5-yl)-7,7-dimethyl-2-oxo-, (1R,4S)- [ACD/Index Name]
N-[12-Bromotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl]-1-[(1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonamide [ACD/IUPAC Name]
N-[12-Bromotricyclo[8.2.2.24,7]hexadéca-1(12),4,6,10,13,15-hexaén-5-yl]-1-[(1R,4S)-7,7-diméthyl-2-oxobicyclo[2.2.1]hept-1-yl]méthanesulfonamide [French] [ACD/IUPAC Name]
N-[12-Bromtricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl]-1-[(1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methansulfonamid [German] [ACD/IUPAC 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: 616.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 326.4±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 130.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 5.86
ACD/BCF (pH 5.5): 16825.52
ACD/KOC (pH 5.5): 36849.90
ACD/LogD (pH 7.4): 5.84
ACD/BCF (pH 7.4): 15832.99
ACD/KOC (pH 7.4): 34676.16
Polar Surface Area: 72 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 369.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement