ChemSpider 2D Image | Diethyl {[2-benzyl-1-(phenylsulfonyl)-1H-indol-3-yl]methylene}malonate | C29H27NO6S

Diethyl {[2-benzyl-1-(phenylsulfonyl)-1H-indol-3-yl]methylene}malonate

  • Molecular FormulaC29H27NO6S
  • Average mass517.593 Da
  • Monoisotopic mass517.155884 Da
  • ChemSpider ID24741298

More details:

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

{[2-Benzyl-1-(phénylsulfonyl)-1H-indol-3-yl]méthylène}malonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl {[2-benzyl-1-(phenylsulfonyl)-1H-indol-3-yl]methylene}malonate [ACD/IUPAC Name]
Diethyl-{[2-benzyl-1-(phenylsulfonyl)-1H-indol-3-yl]methylen}malonat [German] [ACD/IUPAC Name]
Propanedioic acid, 2-[[2-(phenylmethyl)-1-(phenylsulfonyl)-1H-indol-3-yl]methylene]-, diethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 657.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 351.3±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 143.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.58
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 6053.18
ACD/KOC (pH 5.5): 17731.11
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 6053.18
ACD/KOC (pH 7.4): 17731.11
Polar Surface Area: 100 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 421.6±7.0 cm3

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