ChemSpider 2D Image | N-{(1Z)-3-{[2-(Diethylamino)ethyl]amino}-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxo-1-propen-2-yl}-3,4,5-trimethoxybenzamide | C29H39N5O7S

N-{(1Z)-3-{[2-(Diethylamino)ethyl]amino}-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxo-1-propen-2-yl}-3,4,5-trimethoxybenzamide

  • Molecular FormulaC29H39N5O7S
  • Average mass601.714 Da
  • Monoisotopic mass601.257019 Da
  • ChemSpider ID22944014

  • Double-bond stereo - Double-bond stereo

More details:

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

Benzamide, N-[(Z)-1-[[[2-(diethylamino)ethyl]amino]carbonyl]-2-[1-[(dimethylamino)sulfonyl]-1H-indol-3-yl]ethenyl]-3,4,5-trimethoxy- [ACD/Index Name]
N-{(1Z)-3-{[2-(Diethylamino)ethyl]amino}-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxo-1-propen-2-yl}-3,4,5-trimethoxybenzamid [German] [ACD/IUPAC Name]
N-{(1Z)-3-{[2-(Diethylamino)ethyl]amino}-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxo-1-propen-2-yl}-3,4,5-trimethoxybenzamide [ACD/IUPAC Name]
N-{(1Z)-3-{[2-(Diéthylamino)éthyl]amino}-1-[1-(diméthylsulfamoyl)-1H-indol-3-yl]-3-oxo-1-propén-2-yl}-3,4,5-triméthoxybenzamide [French] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.580
Molar Refractivity: 160.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 2.92
ACD/LogD (pH 5.5): -0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.22
Polar Surface Area: 140 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 44.7±7.0 dyne/cm
Molar Volume: 483.0±7.0 cm3

Click to predict properties on the Chemicalize site


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