ChemSpider 2D Image | 2-{[3'-(4-[4-(Hydroxymethyl)phenyl]-5-methyl-6-{[(1-oxido-2-pyridinyl)sulfanyl]methyl}-1,3-dioxan-2-yl)-3-biphenylyl]methyl}-1H-isoindole-1,3(2H)-dione | C39H34N2O6S

2-{[3'-(4-[4-(Hydroxymethyl)phenyl]-5-methyl-6-{[(1-oxido-2-pyridinyl)sulfanyl]methyl}-1,3-dioxan-2-yl)-3-biphenylyl]methyl}-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC39H34N2O6S
  • Average mass658.762 Da
  • Monoisotopic mass658.213745 Da
  • ChemSpider ID3571543

More details:

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

1H-Isoindole-1,3(2H)-dione, 2-[[3'-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[(1-oxido-2-pyridinyl)thio]methyl]-1,3-dioxan-2-yl][1,1'-biphenyl]-3-yl]methyl]- [ACD/Index Name]
2-{[3'-(4-[4-(Hydroxymethyl)phenyl]-5-methyl-6-{[(1-oxido-2-pyridinyl)sulfanyl]methyl}-1,3-dioxan-2-yl)-3-biphenylyl]methyl}-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-{[3'-(4-[4-(Hydroxymethyl)phenyl]-5-methyl-6-{[(1-oxido-2-pyridinyl)sulfanyl]methyl}-1,3-dioxan-2-yl)-3-biphenylyl]methyl}-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-{[3'-(4-[4-(Hydroxyméthyl)phényl]-5-méthyl-6-{[(1-oxydo-2-pyridinyl)sulfanyl]méthyl}-1,3-dioxan-2-yl)-3-biphénylyl]méthyl}-1H-isoindole-1,3(2H)-dione [French] [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: 897.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.7±3.0 kJ/mol
Flash Point: 496.7±34.3 °C
Index of Refraction: 1.673
Molar Refractivity: 186.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 5.08
ACD/BCF (pH 5.5): 4298.73
ACD/KOC (pH 5.5): 13878.35
ACD/LogD (pH 7.4): 5.08
ACD/BCF (pH 7.4): 4298.74
ACD/KOC (pH 7.4): 13878.39
Polar Surface Area: 127 Å2
Polarizability: 73.8±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 496.7±7.0 cm3

Click to predict properties on the Chemicalize site


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