ChemSpider 2D Image | (3S,3'R,4'S,5''E)-1''-Acryloyl-5''-(4-fluorobenzylidene)-4'-(4-fluorophenyl)-1'-methyl-4''H-dispiro[indole-3,2'-pyrrolidine-3',3''-piperidine]-2,4''(1H)-dione | C32H27F2N3O3

(3S,3'R,4'S,5''E)-1''-Acryloyl-5''-(4-fluorobenzylidene)-4'-(4-fluorophenyl)-1'-methyl-4''H-dispiro[indole-3,2'-pyrrolidine-3',3''-piperidine]-2,4''(1H)-dione

  • Molecular FormulaC32H27F2N3O3
  • Average mass539.572 Da
  • Monoisotopic mass539.202026 Da
  • ChemSpider ID31137716

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,3'R,4'S,5''E)-1''-Acryloyl-5''-(4-fluorbenzyliden)-4'-(4-fluorphenyl)-1'-methyl-4''H-dispiro[indole-3,2'-pyrrolidine-3',3''-piperidine]-2,4''(1H)-dion [German] [ACD/IUPAC Name]
(3S,3'R,4'S,5''E)-1''-Acryloyl-5''-(4-fluorobenzylidene)-4'-(4-fluorophenyl)-1'-methyl-4''H-dispiro[indole-3,2'-pyrrolidine-3',3''-piperidine]-2,4''(1H)-dione [ACD/IUPAC Name]
(3S,3'R,4'S,5''E)-1''-Acryloyl-5''-(4-fluorobenzylidène)-4'-(4-fluorophényl)-1'-méthyl-4''H-dispiro[indole-3,2'-pyrrolidine-3',3''-piperidine]-2,4''(1H)-dione [French] [ACD/IUPAC Name]
Dispiro[3H-indole-3,2'-pyrrolidine-3',3''-piperidine]-2,4''(1H)-dione, 4'-(4-fluorophenyl)-5''-[(4-fluorophenyl)methylene]-1'-methyl-1''-(1-oxo-2-propen-1-yl)-, (3S,3'R,4'S,5''E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 770.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.2±3.0 kJ/mol
Flash Point: 419.8±32.9 °C
Index of Refraction: 1.675
Molar Refractivity: 146.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1719.55
ACD/KOC (pH 5.5): 6789.00
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 2111.44
ACD/KOC (pH 7.4): 8336.25
Polar Surface Area: 70 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 63.0±5.0 dyne/cm
Molar Volume: 389.3±5.0 cm3

Click to predict properties on the Chemicalize site


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