ChemSpider 2D Image | N-[4-(4-{[(2-Hydroxyethyl)sulfanyl]methyl}-6-[4-(hydroxymethyl)phenyl]-5-phenyl-1,3-dioxan-2-yl)benzyl]-8-quinolinesulfonamide | C36H36N2O6S2

N-[4-(4-{[(2-Hydroxyethyl)sulfanyl]methyl}-6-[4-(hydroxymethyl)phenyl]-5-phenyl-1,3-dioxan-2-yl)benzyl]-8-quinolinesulfonamide

  • Molecular FormulaC36H36N2O6S2
  • Average mass656.811 Da
  • Monoisotopic mass656.201477 Da
  • ChemSpider ID3800168

More details:

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

8-Quinolinesulfonamide, N-[[4-[4-[[(2-hydroxyethyl)thio]methyl]-6-[4-(hydroxymethyl)phenyl]-5-phenyl-1,3-dioxan-2-yl]phenyl]methyl]- [ACD/Index Name]
N-[4-(4-{[(2-Hydroxyethyl)sulfanyl]methyl}-6-[4-(hydroxymethyl)phenyl]-5-phenyl-1,3-dioxan-2-yl)benzyl]-8-chinolinsulfonamid [German] [ACD/IUPAC Name]
N-[4-(4-{[(2-Hydroxyéthyl)sulfanyl]méthyl}-6-[4-(hydroxyméthyl)phényl]-5-phényl-1,3-dioxan-2-yl)benzyl]-8-quinoléinesulfonamide [French] [ACD/IUPAC Name]
N-[4-(4-{[(2-Hydroxyethyl)sulfanyl]methyl}-6-[4-(hydroxymethyl)phenyl]-5-phenyl-1,3-dioxan-2-yl)benzyl]-8-quinolinesulfonamide [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: 880.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.0±3.0 kJ/mol
Flash Point: 486.2±37.1 °C
Index of Refraction: 1.654
Molar Refractivity: 182.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2477.02
ACD/KOC (pH 5.5): 9351.97
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2449.35
ACD/KOC (pH 7.4): 9247.49
Polar Surface Area: 152 Å2
Polarizability: 72.5±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 499.1±3.0 cm3

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