Found 1 result

Search term: NC(=N)c1ccc(cc1)[C@H]1[C@@H]2[C@@H]([C@H](Cc3ccccc3)N(Cc3ccc4OCOc4c3)C2=O)[C@@H]2CCCN12 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 4-[(1S,3aS,4R,8aS,8bR)-2-(1,3-Benzodioxol-5-ylmethyl)-1-benzyl-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide | C31H32N4O3

4-[(1S,3aS,4R,8aS,8bR)-2-(1,3-Benzodioxol-5-ylmethyl)-1-benzyl-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide

  • Molecular FormulaC31H32N4O3
  • Average mass508.611 Da
  • Monoisotopic mass508.247000 Da
  • ChemSpider ID25061177

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4-[(1S,3aS,4R,8aS,8bR)-2-(1,3-Benzodioxol-5-ylmethyl)-1-benzyl-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide [ACD/IUPAC Name]
4-[(1S,3aS,4R,8aS,8bR)-2-(1,3-Benzodioxol-5-ylméthyl)-1-benzyl-3-oxodécahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzènecarboximidamide [French] [ACD/IUPAC Name]
4-[(1S,3aS,4R,8aS,8bR)-2-(1,3-Benzodioxol-5-ylmethyl)-1-benzyl-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzolcarboximidamid [German] [ACD/IUPAC Name]
Benzenecarboximidamide, 4-[(1S,3aS,4R,8aS,8bR)-2-(1,3-benzodioxol-5-ylmethyl)decahydro-3-oxo-1-(phenylmethyl)pyrrolo[3,4-a]pyrrolizin-4-yl]- [ACD/Index Name]

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

Density: 1.4±0.0 g/cm3
Boiling Point: 696.2±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 102.0±0.0 kJ/mol
Flash Point: 374.8±0.0 °C
Index of Refraction: 1.734
Molar Refractivity: 142.9±0.0 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.74
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 1.35
ACD/KOC (pH 7.4): 8.49
Polar Surface Area: 92 Å2
Polarizability: 56.7±0.0 10-24cm3
Surface Tension: 60.4±0.0 dyne/cm
Molar Volume: 356.7±0.0 cm3

Click to predict properties on the Chemicalize site


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