ChemSpider 2D Image | 2-[4-(Methylsulfonyl)phenyl]-1-[2-({[2-(phenylsulfonyl)ethyl]sulfanyl}acetyl)-1-pyrazolidinyl]ethanone | C22H26N2O6S3

2-[4-(Methylsulfonyl)phenyl]-1-[2-({[2-(phenylsulfonyl)ethyl]sulfanyl}acetyl)-1-pyrazolidinyl]ethanone

  • Molecular FormulaC22H26N2O6S3
  • Average mass510.647 Da
  • Monoisotopic mass510.095306 Da
  • ChemSpider ID3011352

More details:

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

2-[4-(Methylsulfonyl)phenyl]-1-[2-({[2-(phenylsulfonyl)ethyl]sulfanyl}acetyl)-1-pyrazolidinyl]ethanon [German] [ACD/IUPAC Name]
2-[4-(Methylsulfonyl)phenyl]-1-[2-({[2-(phenylsulfonyl)ethyl]sulfanyl}acetyl)-1-pyrazolidinyl]ethanone [ACD/IUPAC Name]
2-[4-(Méthylsulfonyl)phényl]-1-[2-(2-{[2-(phénylsulfonyl)éthyl]sulfanyl}acétyl)-1-pyrazolidinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[4-(methylsulfonyl)phenyl]-1-[2-[2-[[2-(phenylsulfonyl)ethyl]thio]acetyl]-1-pyrazolidinyl]- [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: 739.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 401.2±35.7 °C
Index of Refraction: 1.619
Molar Refractivity: 129.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -0.20
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.88
ACD/KOC (pH 5.5): 54.67
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.88
ACD/KOC (pH 7.4): 54.67
Polar Surface Area: 151 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 58.8±3.0 dyne/cm
Molar Volume: 369.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement