Found 1 result

Search term: MXDATYRRTDMYEF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-(4-Chlorophenyl)-1-[(1R,7S)-10,10-dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.0~1,5~]dec-4-yl]-1-propanone | C19H24ClNO3S

2-(4-Chlorophenyl)-1-[(1R,7S)-10,10-dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.01,5]dec-4-yl]-1-propanone

  • Molecular FormulaC19H24ClNO3S
  • Average mass381.917 Da
  • Monoisotopic mass381.116547 Da
  • ChemSpider ID30650820

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

1-Propanone, 2-(4-chlorophenyl)-1-[(3aR,6S)-tetrahydro-8,8-dimethyl-2,2-dioxido-3H-3a,6-methano-2,1-benzisothiazol-1(4H)-yl]- [ACD/Index Name]
2-(4-Chlorophenyl)-1-[(1R,7S)-10,10-dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.01,5]dec-4-yl]-1-propanone [ACD/IUPAC Name]
2-(4-Chlorophényl)-1-[(1R,7S)-10,10-diméthyl-3,3-dioxydo-3-thia-4-azatricyclo[5.2.1.01,5]déc-4-yl]-1-propanone [French] [ACD/IUPAC Name]
2-(4-Chlorphenyl)-1-[(1R,7S)-10,10-dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.01,5]dec-4-yl]-1-propanon [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: 505.4±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 259.5±30.7 °C
Index of Refraction: 1.613
Molar Refractivity: 98.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 93.09
ACD/KOC (pH 5.5): 893.20
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 93.09
ACD/KOC (pH 7.4): 893.20
Polar Surface Area: 63 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 282.9±5.0 cm3

Click to predict properties on the Chemicalize site


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