ChemSpider 2D Image | Boceprevir | C27H45N5O5

Boceprevir

  • Molecular FormulaC27H45N5O5
  • Average mass519.677 Da
  • Monoisotopic mass519.342041 Da
  • ChemSpider ID32820794

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1S,2S,5R)-N-(4-Amino-1-cyclobutyl-3,4-dioxo-2-butanyl)-6,6-dimethyl-3-{3-methyl-N-[(2-methyl-2-propanyl)carbamoyl]-D-valyl}-3-azabicyclo[3.1.0]hexan-2-carboxamid [German] [ACD/IUPAC Name]
(1S,2S,5R)-N-(4-Amino-1-cyclobutyl-3,4-dioxo-2-butanyl)-6,6-dimethyl-3-{3-methyl-N-[(2-methyl-2-propanyl)carbamoyl]-D-valyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide [ACD/IUPAC Name]
(1S,2S,5R)-N-(4-Amino-1-cyclobutyl-3,4-dioxo-2-butanyl)-6,6-diméthyl-3-{3-méthyl-N-[(2-méthyl-2-propanyl)carbamoyl]-D-valyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide [French] [ACD/IUPAC Name]
394730-60-0 [RN]
3-Azabicyclo[3.1.0]hexane-2-carboxamide, N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3-[(2R)-2-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-, (1S,2S,5R)- [ACD/Index Name]
Boceprevir [INN] [USAN] [Wiki]

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: 1.533
Molar Refractivity: 138.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 39.08
ACD/KOC (pH 5.5): 479.56
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.08
ACD/KOC (pH 7.4): 479.56
Polar Surface Area: 151 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 446.9±3.0 cm3

Click to predict properties on the Chemicalize site


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