ChemSpider 2D Image | 3-{N-[{[(2-Acetyl-3,4-dimethyl-1,3-cyclopentadien-1-yl)carbonyl]amino}(cyclohexyl)acetyl]-3-methylvalyl}-N-{1-[1-(cyclopropylamino)-2,3-dioxocyclopropyl]propyl}-2-azabicyclo[2.2.1]heptane-2-carboxamid e | C40H57N5O7

3-{N-[{[(2-Acetyl-3,4-dimethyl-1,3-cyclopentadien-1-yl)carbonyl]amino}(cyclohexyl)acetyl]-3-methylvalyl}-N-{1-[1-(cyclopropylamino)-2,3-dioxocyclopropyl]propyl}-2-azabicyclo[2.2.1]heptane-2-carboxamid e

  • Molecular FormulaC40H57N5O7
  • Average mass719.910 Da
  • Monoisotopic mass719.425781 Da
  • ChemSpider ID8409406

More details:

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

2-Azabicyclo[2.2.1]heptane-2-carboxamide, 3-[2-[[2-[[(2-acetyl-3,4-dimethyl-1,3-cyclopentadien-1-yl)carbonyl]amino]-2-cyclohexylacetyl]amino]-3,3-dimethyl-1-oxobutyl]-N-[1-[1-(cyclopropylamino)-2,3-di oxocyclopropyl]propyl]- [ACD/Index Name]
3-[N-(2-{[(2-Acétyl-3,4-diméthyl-1,3-cyclopentadién-1-yl)carbonyl]amino}-2-cyclohexylacétyl)-3-méthylvalyl]-N-{1-[1-(cyclopropylamino)-2,3-dioxocyclopropyl]propyl}-2-azabicyclo[2.2.1]heptane-2-carboxa mide [French] [ACD/IUPAC Name]
3-{N-[{[(2-Acetyl-3,4-dimethyl-1,3-cyclopentadien-1-yl)carbonyl]amino}(cyclohexyl)acetyl]-3-methylvalyl}-N-{1-[1-(cyclopropylamino)-2,3-dioxocyclopropyl]propyl}-2-azabicyclo[2.2.1]heptan-2-carboxamid [German] [ACD/IUPAC Name]
3-{N-[{[(2-Acetyl-3,4-dimethyl-1,3-cyclopentadien-1-yl)carbonyl]amino}(cyclohexyl)acetyl]-3-methylvalyl}-N-{1-[1-(cyclopropylamino)-2,3-dioxocyclopropyl]propyl}-2-azabicyclo[2.2.1]heptane-2-carboxamid e [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.590
Molar Refractivity: 193.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1141.49
ACD/KOC (pH 5.5): 5372.01
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1141.46
ACD/KOC (pH 7.4): 5371.90
Polar Surface Area: 171 Å2
Polarizability: 76.5±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 572.0±5.0 cm3

Click to predict properties on the Chemicalize site


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