ChemSpider 2D Image | Ethyl (2Z)-3-{2-[(Z)-{[4-(dimethylamino)phenyl]imino}methyl]-1-(phenylsulfonyl)-1H-indol-3-yl}acrylate | C28H27N3O4S

Ethyl (2Z)-3-{2-[(Z)-{[4-(dimethylamino)phenyl]imino}methyl]-1-(phenylsulfonyl)-1H-indol-3-yl}acrylate

  • Molecular FormulaC28H27N3O4S
  • Average mass501.597 Da
  • Monoisotopic mass501.172241 Da
  • ChemSpider ID30652343

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-{2-[(Z)-{[4-(Diméthylamino)phényl]imino}méthyl]-1-(phénylsulfonyl)-1H-indol-3-yl}acrylate d'éthyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-[2-[(Z)-[[4-(dimethylamino)phenyl]imino]methyl]-1-(phenylsulfonyl)-1H-indol-3-yl]-, ethyl ester, (2Z)- [ACD/Index Name]
Ethyl (2Z)-3-{2-[(Z)-{[4-(dimethylamino)phenyl]imino}methyl]-1-(phenylsulfonyl)-1H-indol-3-yl}acrylate [ACD/IUPAC Name]
Ethyl-(2Z)-3-{2-[(Z)-{[4-(dimethylamino)phenyl]imino}methyl]-1-(phenylsulfonyl)-1H-indol-3-yl}acrylat [German] [ACD/IUPAC 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: 722.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 391.0±35.7 °C
Index of Refraction: 1.607
Molar Refractivity: 143.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 533.22
ACD/KOC (pH 5.5): 2242.79
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1649.26
ACD/KOC (pH 7.4): 6936.97
Polar Surface Area: 89 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 46.5±7.0 dyne/cm
Molar Volume: 416.5±7.0 cm3

Click to predict properties on the Chemicalize site


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