ChemSpider 2D Image | 1-{5-[(2-{[4-(Methylsulfonyl)phenyl]sulfonyl}-2,8-diazaspiro[4.5]dec-8-yl)carbonyl]-2-thienyl}ethanone | C22H26N2O6S3

1-{5-[(2-{[4-(Methylsulfonyl)phenyl]sulfonyl}-2,8-diazaspiro[4.5]dec-8-yl)carbonyl]-2-thienyl}ethanone

  • Molecular FormulaC22H26N2O6S3
  • Average mass510.647 Da
  • Monoisotopic mass510.095306 Da
  • ChemSpider ID3012279

More details:

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

1-{5-[(2-{[4-(Methylsulfonyl)phenyl]sulfonyl}-2,8-diazaspiro[4.5]dec-8-yl)carbonyl]-2-thienyl}ethanon [German] [ACD/IUPAC Name]
1-{5-[(2-{[4-(Methylsulfonyl)phenyl]sulfonyl}-2,8-diazaspiro[4.5]dec-8-yl)carbonyl]-2-thienyl}ethanone [ACD/IUPAC Name]
1-{5-[(2-{[4-(Méthylsulfonyl)phényl]sulfonyl}-2,8-diazaspiro[4.5]déc-8-yl)carbonyl]-2-thiényl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[5-[[2-[[4-(methylsulfonyl)phenyl]sulfonyl]-2,8-diazaspiro[4.5]dec-8-yl]carbonyl]-2-thienyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 768.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.9±3.0 kJ/mol
Flash Point: 418.5±35.7 °C
Index of Refraction: 1.661
Molar Refractivity: 126.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.74
ACD/KOC (pH 5.5): 294.28
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.74
ACD/KOC (pH 7.4): 294.28
Polar Surface Area: 154 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 72.3±5.0 dyne/cm
Molar Volume: 342.7±5.0 cm3

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