ChemSpider 2D Image | 4-[(1R,4R)-5-(1,3-Benzodioxol-5-ylmethyl)-4-ethyl-2,3,3-trimethyl-6-oxooctahydropyrrolo[3,4-c]pyrrol-1-yl]benzenecarboximidamide | C26H32N4O3

4-[(1R,4R)-5-(1,3-Benzodioxol-5-ylmethyl)-4-ethyl-2,3,3-trimethyl-6-oxooctahydropyrrolo[3,4-c]pyrrol-1-yl]benzenecarboximidamide

  • Molecular FormulaC26H32N4O3
  • Average mass448.557 Da
  • Monoisotopic mass448.247437 Da
  • ChemSpider ID34960917

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

4-[(1R,4R)-5-(1,3-Benzodioxol-5-ylmethyl)-4-ethyl-2,3,3-trimethyl-6-oxooctahydropyrrolo[3,4-c]pyrrol-1-yl]benzenecarboximidamide [ACD/IUPAC Name]
4-[(1R,4R)-5-(1,3-Benzodioxol-5-ylméthyl)-4-éthyl-2,3,3-triméthyl-6-oxooctahydropyrrolo[3,4-c]pyrrol-1-yl]benzènecarboximidamide [French] [ACD/IUPAC Name]
4-[(1R,4R)-5-(1,3-Benzodioxol-5-ylmethyl)-4-ethyl-2,3,3-trimethyl-6-oxooctahydropyrrolo[3,4-c]pyrrol-1-yl]benzolcarboximidamid [German] [ACD/IUPAC Name]
Benzenecarboximidamide, 4-[(1R,4R)-5-(1,3-benzodioxol-5-ylmethyl)-4-ethyloctahydro-2,3,3-trimethyl-6-oxopyrrolo[3,4-c]pyrrol-1-yl]- [ACD/Index Name]
Bicyclic core, rac-13b

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

Density: 1.3±0.1 g/cm3
Boiling Point: 602.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 318.0±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 124.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): -0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.30
Polar Surface Area: 92 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 335.5±7.0 cm3

Click to predict properties on the Chemicalize site


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