ChemSpider 2D Image | (3Z)-2-Oxo-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)propyl 3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzoate | C31H38N2O5S

(3Z)-2-Oxo-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)propyl 3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzoate

  • Molecular FormulaC31H38N2O5S
  • Average mass550.709 Da
  • Monoisotopic mass550.250122 Da
  • ChemSpider ID4833486

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z)-2-Oxo-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-yliden)propyl-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzoat [German] [ACD/IUPAC Name]
(3Z)-2-Oxo-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)propyl 3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzoate [ACD/IUPAC Name]
3-[(1,3,3-Triméthyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzoate de (3Z)-2-oxo-3-(1,3,3-triméthyl-1,3-dihydro-2H-indol-2-ylidène)propyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]-, (3Z)-3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-2-oxopropyl 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: 673.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 360.9±34.3 °C
Index of Refraction: 1.595
Molar Refractivity: 151.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.47
ACD/LogD (pH 5.5): 6.32
ACD/BCF (pH 5.5): 37073.38
ACD/KOC (pH 5.5): 64880.86
ACD/LogD (pH 7.4): 6.32
ACD/BCF (pH 7.4): 37073.83
ACD/KOC (pH 7.4): 64881.65
Polar Surface Area: 92 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 446.1±3.0 cm3

Click to predict properties on the Chemicalize site


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