ChemSpider 2D Image | N-[1-(Allylamino)-1,2-dioxo-3-hexanyl]-3-(N-{cyclohexyl[(2-pyrazinylcarbonyl)amino]acetyl}-3-methylvalyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide | C36H53N7O6

N-[1-(Allylamino)-1,2-dioxo-3-hexanyl]-3-(N-{cyclohexyl[(2-pyrazinylcarbonyl)amino]acetyl}-3-methylvalyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

  • Molecular FormulaC36H53N7O6
  • Average mass679.849 Da
  • Monoisotopic mass679.405762 Da
  • ChemSpider ID9961936

More details:

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

3-Azabicyclo[3.1.0]hexane-2-carboxamide, 3-[2-[[2-cyclohexyl-2-[(2-pyrazinylcarbonyl)amino]acetyl]amino]-3,3-dimethyl-1-oxobutyl]-N-[1-[1,2-dioxo-2-(2-propen-1-ylamino)ethyl]butyl]-6,6-dimethyl- [ACD/Index Name]
N-[1-(Allylamino)-1,2-dioxo-3-hexanyl]-3-(N-{2-cyclohexyl-2-[(2-pyrazinylcarbonyl)amino]acétyl}-3-méthylvalyl)-6,6-diméthyl-3-azabicyclo[3.1.0]hexane-2-carboxamide [French] [ACD/IUPAC Name]
N-[1-(Allylamino)-1,2-dioxo-3-hexanyl]-3-(N-{cyclohexyl[(2-pyrazinylcarbonyl)amino]acetyl}-3-methylvalyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-carboxamid [German] [ACD/IUPAC Name]
N-[1-(Allylamino)-1,2-dioxo-3-hexanyl]-3-(N-{cyclohexyl[(2-pyrazinylcarbonyl)amino]acetyl}-3-methylvalyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.547
Molar Refractivity: 182.7±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 394.01
ACD/KOC (pH 5.5): 2507.22
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 394.00
ACD/KOC (pH 7.4): 2507.11
Polar Surface Area: 180 Å2
Polarizability: 72.4±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 575.9±3.0 cm3

Click to predict properties on the Chemicalize site


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