Found 64 results

Search term: MF = 'C_{37}H_{32}N_{2}O_{4}'
ChemSpider 2D Image | (3S,3a'S,6'S)-1,1''-Dibenzyl-2',2'-dimethyl-3a',4'-dihydrodispiro[indole-3,5'-[1,3]benzodioxole-6',3''-indole]-2,2''(1H,1''H)-dione | C37H32N2O4

(3S,3a'S,6'S)-1,1''-Dibenzyl-2',2'-dimethyl-3a',4'-dihydrodispiro[indole-3,5'-[1,3]benzodioxole-6',3''-indole]-2,2''(1H,1''H)-dione

  • Molecular FormulaC37H32N2O4
  • Average mass568.661 Da
  • Monoisotopic mass568.236206 Da
  • ChemSpider ID9094063

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,3a'S,6'S)-1,1''-Dibenzyl-2',2'-dimethyl-3a',4'-dihydrodispiro[indole-3,5'-[1,3]benzodioxole-6',3''-indole]-2,2''(1H,1''H)-dione [ACD/IUPAC Name]
Dispiro[3H-indole-3,5'(6'H)-[1,3]benzodioxole-6',3''-[3H]indole]-2,2''(1''H,1H)-dione, 3'a,4'-dihydro-2',2'-dimethyl-1,1''-bis(phenylmethyl)-, (3S,3a'S,6'S)- [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: 835.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.5±3.0 kJ/mol
Flash Point: 459.3±34.3 °C
Index of Refraction: 1.718
Molar Refractivity: 164.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 7.93
ACD/LogD (pH 5.5): 6.93
ACD/BCF (pH 5.5): 109150.29
ACD/KOC (pH 5.5): 140538.92
ACD/LogD (pH 7.4): 6.93
ACD/BCF (pH 7.4): 109150.41
ACD/KOC (pH 7.4): 140539.08
Polar Surface Area: 59 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 68.9±5.0 dyne/cm
Molar Volume: 416.2±5.0 cm3

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