ChemSpider 2D Image | N-(Cyclohexylmethyl)-2-{(2R,4aS,12aS)-5-methyl-6-oxo-8-[(propylcarbamoyl)amino]-2,3,4,4a,5,6,12,12a-octahydropyrano[2,3-c][1,5]benzoxazocin-2-yl}acetamide | C27H40N4O5

N-(Cyclohexylmethyl)-2-{(2R,4aS,12aS)-5-methyl-6-oxo-8-[(propylcarbamoyl)amino]-2,3,4,4a,5,6,12,12a-octahydropyrano[2,3-c][1,5]benzoxazocin-2-yl}acetamide

  • Molecular FormulaC27H40N4O5
  • Average mass500.630 Da
  • Monoisotopic mass500.299866 Da
  • ChemSpider ID34234357

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

N-(Cyclohexylmethyl)-2-{(2R,4aS,12aS)-5-methyl-6-oxo-8-[(propylcarbamoyl)amino]-2,3,4,4a,5,6,12,12a-octahydropyrano[2,3-c][1,5]benzoxazocin-2-yl}acetamid [German] [ACD/IUPAC Name]
N-(Cyclohexylmethyl)-2-{(2R,4aS,12aS)-5-methyl-6-oxo-8-[(propylcarbamoyl)amino]-2,3,4,4a,5,6,12,12a-octahydropyrano[2,3-c][1,5]benzoxazocin-2-yl}acetamide [ACD/IUPAC Name]
N-(Cyclohexylméthyl)-2-{(2R,4aS,12aS)-5-méthyl-6-oxo-8-[(propylcarbamoyl)amino]-2,3,4,4a,5,6,12,12a-octahydropyrano[2,3-c][1,5]benzoxazocin-2-yl}acétamide [French] [ACD/IUPAC Name]
Pyrano[2,3-c][1,5]benzoxazocine-2-acetamide, N-(cyclohexylmethyl)-2,3,4,4a,5,6,12,12a-octahydro-5-methyl-6-oxo-8-[[(propylamino)carbonyl]amino]-, (2R,4aS,12aS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 715.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.6±3.0 kJ/mol
Flash Point: 386.7±32.9 °C
Index of Refraction: 1.549
Molar Refractivity: 136.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.65
ACD/KOC (pH 5.5): 458.38
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.65
ACD/KOC (pH 7.4): 458.37
Polar Surface Area: 109 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 430.8±3.0 cm3

Click to predict properties on the Chemicalize site


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