ChemSpider 2D Image | Methyl 4-{3-[(4-methylphenyl)sulfonyl]-1-(phenylsulfonyl)-1,2,5,6-tetrahydro-2-pyridinyl}benzoate | C26H25NO6S2

Methyl 4-{3-[(4-methylphenyl)sulfonyl]-1-(phenylsulfonyl)-1,2,5,6-tetrahydro-2-pyridinyl}benzoate

  • Molecular FormulaC26H25NO6S2
  • Average mass511.610 Da
  • Monoisotopic mass511.112335 Da
  • ChemSpider ID17344196

More details:

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

4-{3-[(4-Méthylphényl)sulfonyl]-1-(phénylsulfonyl)-1,2,5,6-tétrahydro-2-pyridinyl}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[1,2,5,6-tetrahydro-3-[(4-methylphenyl)sulfonyl]-1-(phenylsulfonyl)-2-pyridinyl]-, methyl ester [ACD/Index Name]
Methyl 4-{3-[(4-methylphenyl)sulfonyl]-1-(phenylsulfonyl)-1,2,5,6-tetrahydro-2-pyridinyl}benzoate [ACD/IUPAC Name]
Methyl-4-{3-[(4-methylphenyl)sulfonyl]-1-(phenylsulfonyl)-1,2,5,6-tetrahydro-2-pyridinyl}benzoat [German] [ACD/IUPAC 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: 710.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 383.7±35.7 °C
Index of Refraction: 1.621
Molar Refractivity: 134.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1289.66
ACD/KOC (pH 5.5): 5862.43
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1289.66
ACD/KOC (pH 7.4): 5862.43
Polar Surface Area: 115 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 381.7±3.0 cm3

Click to predict properties on the Chemicalize site


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