ChemSpider 2D Image | 2,6-Dimethoxy-4-[(2-{[4-(methylsulfonyl)phenyl]acetyl}-1-pyrazolidinyl)carbonyl]phenyl ethyl carbonate | C24H28N2O9S

2,6-Dimethoxy-4-[(2-{[4-(methylsulfonyl)phenyl]acetyl}-1-pyrazolidinyl)carbonyl]phenyl ethyl carbonate

  • Molecular FormulaC24H28N2O9S
  • Average mass520.552 Da
  • Monoisotopic mass520.151550 Da
  • ChemSpider ID3083063

More details:

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

2,6-Dimethoxy-4-[(2-{[4-(methylsulfonyl)phenyl]acetyl}-1-pyrazolidinyl)carbonyl]phenyl ethyl carbonate [ACD/IUPAC Name]
2,6-Dimethoxy-4-[(2-{[4-(methylsulfonyl)phenyl]acetyl}-1-pyrazolidinyl)carbonyl]phenyl-ethylcarbonat [German] [ACD/IUPAC Name]
Carbonate de 2,6-diméthoxy-4-[(2-{2-[4-(méthylsulfonyl)phényl]acétyl}-1-pyrazolidinyl)carbonyl]phényle et d'éthyle [French] [ACD/IUPAC Name]
Carbonic acid, 2,6-dimethoxy-4-[[2-[2-[4-(methylsulfonyl)phenyl]acetyl]-1-pyrazolidinyl]carbonyl]phenyl ethyl ester [ACD/Index 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: 715.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.6±3.0 kJ/mol
Flash Point: 386.6±35.7 °C
Index of Refraction: 1.575
Molar Refractivity: 128.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -0.59
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.51
ACD/KOC (pH 5.5): 46.75
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.51
ACD/KOC (pH 7.4): 46.75
Polar Surface Area: 137 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 390.1±3.0 cm3

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