ChemSpider 2D Image | N-(Diphenylmethyl)-6-{[2-(methyleneamino)butanoyl]amino}-5-oxo-1,2,3,5,6,9,10,10a-octahydropyrrolo[1,2-a]azocine-3-carboxamide | C29H34N4O3

N-(Diphenylmethyl)-6-{[2-(methyleneamino)butanoyl]amino}-5-oxo-1,2,3,5,6,9,10,10a-octahydropyrrolo[1,2-a]azocine-3-carboxamide

  • Molecular FormulaC29H34N4O3
  • Average mass486.605 Da
  • Monoisotopic mass486.263092 Da
  • ChemSpider ID26327341

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

N-(Diphenylmethyl)-6-{[2-(methylenamino)butanoyl]amino}-5-oxo-1,2,3,5,6,9,10,10a-octahydropyrrolo[1,2-a]azocin-3-carboxamid [German] [ACD/IUPAC Name]
N-(Diphenylmethyl)-6-{[2-(methyleneamino)butanoyl]amino}-5-oxo-1,2,3,5,6,9,10,10a-octahydropyrrolo[1,2-a]azocine-3-carboxamide [ACD/IUPAC Name]
N-(Diphénylméthyl)-6-{[2-(méthylèneamino)butanoyl]amino}-5-oxo-1,2,3,5,6,9,10,10a-octahydropyrrolo[1,2-a]azocine-3-carboxamide [French] [ACD/IUPAC Name]
Pyrrolo[1,2-a]azocine-3-carboxamide, N-(diphenylmethyl)-1,2,3,5,6,9,10,10a-octahydro-6-[[2-(methyleneamino)-1-oxobutyl]amino]-5-oxo- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.625
Molar Refractivity: 141.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 249.51
ACD/KOC (pH 5.5): 1805.48
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 251.23
ACD/KOC (pH 7.4): 1817.88
Polar Surface Area: 91 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 47.6±7.0 dyne/cm
Molar Volume: 399.8±7.0 cm3

Click to predict properties on the Chemicalize site


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