ChemSpider 2D Image | 6-{[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-6-azaspiro[2.5]octane-1-carboxamide | C28H38N4O

6-{[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-6-azaspiro[2.5]octane-1-carboxamide

  • Molecular FormulaC28H38N4O
  • Average mass446.628 Da
  • Monoisotopic mass446.304565 Da
  • ChemSpider ID22836614
  • defined stereocentres - 2 of 3 defined stereocentres


More details:






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

6-{[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-6-azaspiro[2.5]octan-1-carboxamid [German] [ACD/IUPAC Name]
6-{[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-6-azaspiro[2.5]octane-1-carboxamide [ACD/IUPAC Name]
6-{[(1R,5S)-6,6-Diméthylbicyclo[3.1.1]hept-2-én-2-yl]méthyl}-N-[2-(1-méthyl-1H-benzimidazol-2-yl)éthyl]-6-azaspiro[2.5]octane-1-carboxamide [French] [ACD/IUPAC Name]
6-Azaspiro[2.5]octane-1-carboxamide, 6-[[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl]-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 653.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 348.9±31.5 °C
Index of Refraction: 1.681
Molar Refractivity: 131.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 1.82
ACD/KOC (pH 5.5): 6.03
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 27.95
ACD/KOC (pH 7.4): 92.67
Polar Surface Area: 50 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 348.2±7.0 cm3

Click to predict properties on the Chemicalize site






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