ChemSpider 2D Image | 3-{(Bicyclo[2.2.1]hept-2-ylacetyl)[(6,6-dimethylbicyclo[3.1.1]hept-2-yl)methyl]amino}-4-hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide | C36H50N2O7

3-{(Bicyclo[2.2.1]hept-2-ylacetyl)[(6,6-dimethylbicyclo[3.1.1]hept-2-yl)methyl]amino}-4-hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide

  • Molecular FormulaC36H50N2O7
  • Average mass622.791 Da
  • Monoisotopic mass622.361816 Da
  • ChemSpider ID2883784

More details:

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

1-Dibenzofurancarboxamide, 3-[(2-bicyclo[2.2.1]hept-2-ylacetyl)[(6,6-dimethylbicyclo[3.1.1]hept-2-yl)methyl]amino]-3,4,4a,9b-tetrahydro-4-hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy- [ACD/Index Name]
3-{(Bicyclo[2.2.1]hept-2-ylacetyl)[(6,6-dimethylbicyclo[3.1.1]hept-2-yl)methyl]amino}-4-hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamid [German] [ACD/IUPAC Name]
3-{(Bicyclo[2.2.1]hept-2-ylacetyl)[(6,6-dimethylbicyclo[3.1.1]hept-2-yl)methyl]amino}-4-hydroxy-N-(2-hydroxyethyl)-8-(hydroxymethyl)-6-methoxy-3,4,4a,9b-tetrahydrodibenzo[b,d]furan-1-carboxamide [ACD/IUPAC Name]
3-{[2-(Bicyclo[2.2.1]hept-2-yl)acétyl][(6,6-diméthylbicyclo[3.1.1]hept-2-yl)méthyl]amino}-4-hydroxy-N-(2-hydroxyéthyl)-8-(hydroxyméthyl)-6-méthoxy-3,4,4a,9b-tétrahydrodibenzo[b,d]furane-1-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 832.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.7±3.0 kJ/mol
Flash Point: 457.0±34.3 °C
Index of Refraction: 1.630
Molar Refractivity: 168.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 433.56
ACD/KOC (pH 5.5): 2686.62
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 433.56
ACD/KOC (pH 7.4): 2686.61
Polar Surface Area: 129 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 63.8±5.0 dyne/cm
Molar Volume: 474.0±5.0 cm3

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