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Search term: MWCXEBJWGAZOCV (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-(4-Chlorophenyl)-1-[(1S,7R)-10,10-dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.0~1,5~]dec-4-yl]-4-phenyl-1-butanone | C26H30ClNO3S

3-(4-Chlorophenyl)-1-[(1S,7R)-10,10-dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.01,5]dec-4-yl]-4-phenyl-1-butanone

  • Molecular FormulaC26H30ClNO3S
  • Average mass472.039 Da
  • Monoisotopic mass471.163483 Da
  • ChemSpider ID30650726

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

1-Butanone, 3-(4-chlorophenyl)-4-phenyl-1-[(3aS,6R)-tetrahydro-8,8-dimethyl-2,2-dioxido-3H-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]- [ACD/Index Name]
3-(4-Chlorophenyl)-1-[(1S,7R)-10,10-dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.01,5]dec-4-yl]-4-phenyl-1-butanone [ACD/IUPAC Name]
3-(4-Chlorophényl)-1-[(1S,7R)-10,10-diméthyl-3,3-dioxydo-3-thia-4-azatricyclo[5.2.1.01,5]déc-4-yl]-4-phényl-1-butanone [French] [ACD/IUPAC Name]
3-(4-Chlorphenyl)-1-[(1S,7R)-10,10-dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.01,5]dec-4-yl]-4-phenyl-1-butanon [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 591.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 311.6±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 127.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 2168.99
ACD/KOC (pH 5.5): 8505.29
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2168.99
ACD/KOC (pH 7.4): 8505.29
Polar Surface Area: 63 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 357.7±5.0 cm3

Click to predict properties on the Chemicalize site


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