ChemSpider 2D Image | N-{[(5R,5aR,8aR)-2-Amino-6,8-dioxo-3,4,5,5a,6,7,8,8a-octahydroimidazo[4,5-e]isoindol-5-yl]methyl}-4-bromo-1H-pyrrole-2-carboxamide | C15H15BrN6O3

N-{[(5R,5aR,8aR)-2-Amino-6,8-dioxo-3,4,5,5a,6,7,8,8a-octahydroimidazo[4,5-e]isoindol-5-yl]methyl}-4-bromo-1H-pyrrole-2-carboxamide

  • Molecular FormulaC15H15BrN6O3
  • Average mass407.222 Da
  • Monoisotopic mass406.038879 Da
  • ChemSpider ID35516648

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1H-Pyrrole-2-carboxamide, N-[[(5R,5aR,8aR)-2-amino-3,4,5,5a,6,7,8,8a-octahydro-6,8-dioxoimidazo[4,5-e]isoindol-5-yl]methyl]-4-bromo- [ACD/Index Name]
N-{[(5R,5aR,8aR)-2-Amino-6,8-dioxo-3,4,5,5a,6,7,8,8a-octahydroimidazo[4,5-e]isoindol-5-yl]methyl}-4-brom-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
N-{[(5R,5aR,8aR)-2-Amino-6,8-dioxo-3,4,5,5a,6,7,8,8a-octahydroimidazo[4,5-e]isoindol-5-yl]methyl}-4-bromo-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
N-{[(5R,5aR,8aR)-2-Amino-6,8-dioxo-3,4,5,5a,6,7,8,8a-octahydroimidazo[4,5-e]isoindol-5-yl]méthyl}-4-bromo-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.704
Molar Refractivity: 90.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.75
ACD/LogD (pH 5.5): -1.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.62
Polar Surface Area: 146 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 80.7±3.0 dyne/cm
Molar Volume: 233.7±3.0 cm3

Click to predict properties on the Chemicalize site


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