ChemSpider 2D Image | 1-[(4-Cyclohexyl-1-piperazinyl)carbonyl]-6-(3,4-dimethoxyphenyl)-9H-thioxanthen-9-one 10,10-dioxide | C32H34N2O6S

1-[(4-Cyclohexyl-1-piperazinyl)carbonyl]-6-(3,4-dimethoxyphenyl)-9H-thioxanthen-9-one 10,10-dioxide

  • Molecular FormulaC32H34N2O6S
  • Average mass574.687 Da
  • Monoisotopic mass574.213745 Da
  • ChemSpider ID26396598

More details:

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

1-[(4-Cyclohexyl-1-piperazinyl)carbonyl]-6-(3,4-dimethoxyphenyl)-9H-thioxanthen-9-on-10,10-dioxid [German] [ACD/IUPAC Name]
1-[(4-Cyclohexyl-1-piperazinyl)carbonyl]-6-(3,4-dimethoxyphenyl)-9H-thioxanthen-9-one 10,10-dioxide [ACD/IUPAC Name]
10,10-Dioxyde de 1-[(4-cyclohexyl-1-pipérazinyl)carbonyl]-6-(3,4-diméthoxyphényl)-9H-thioxanthén-9-one [French] [ACD/IUPAC Name]
9H-Thioxanthen-9-one, 1-[(4-cyclohexyl-1-piperazinyl)carbonyl]-6-(3,4-dimethoxyphenyl)-, 10,10-dioxide [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: 797.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.9±3.0 kJ/mol
Flash Point: 435.8±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 155.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 8.01
ACD/KOC (pH 5.5): 47.58
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 276.58
ACD/KOC (pH 7.4): 1643.39
Polar Surface Area: 102 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 438.7±3.0 cm3

Click to predict properties on the Chemicalize site


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