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Search term: DZLAYZXGRWSOJO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | [(1S,7R)-10,10-Dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.0~1,5~]dec-4-yl][(1S,6R)-4-phenyltricyclo[4.2.1.0~2,5~]non-3-en-3-yl]methanone | C26H31NO3S

[(1S,7R)-10,10-Dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.01,5]dec-4-yl][(1S,6R)-4-phenyltricyclo[4.2.1.02,5]non-3-en-3-yl]methanone

  • Molecular FormulaC26H31NO3S
  • Average mass437.594 Da
  • Monoisotopic mass437.202454 Da
  • ChemSpider ID30650519

  • defined stereocentres - 4 of 7 defined stereocentres

More details:

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

[(1S,7R)-10,10-Dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.01,5]dec-4-yl][(1S,6R)-4-phenyltricyclo[4.2.1.02,5]non-3-en-3-yl]methanon [German] [ACD/IUPAC Name]
[(1S,7R)-10,10-Dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.01,5]dec-4-yl][(1S,6R)-4-phenyltricyclo[4.2.1.02,5]non-3-en-3-yl]methanone [ACD/IUPAC Name]
[(1S,7R)-10,10-Diméthyl-3,3-dioxydo-3-thia-4-azatricyclo[5.2.1.01,5]déc-4-yl][(1S,6R)-4-phényltricyclo[4.2.1.02,5]non-3-én-3-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, [(1S,6R)-4-phenyltricyclo[4.2.1.02,5]non-3-en-3-yl][(3aS,6R)-tetrahydro-8,8-dimethyl-2,2-dioxido-3H-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]- [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: 580.5±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 304.8±28.2 °C
Index of Refraction: 1.659
Molar Refractivity: 119.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1876.39
ACD/KOC (pH 5.5): 7667.29
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1876.39
ACD/KOC (pH 7.4): 7667.29
Polar Surface Area: 63 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 323.6±5.0 cm3

Click to predict properties on the Chemicalize site


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