ChemSpider 2D Image | (3aR,14aS)-9-Bromo-2-imino-1,2,3,5,6,14a-hexahydro-4H,8H-imidazo[4',5':5,6]pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-8-one | C15H14BrN5O

(3aR,14aS)-9-Bromo-2-imino-1,2,3,5,6,14a-hexahydro-4H,8H-imidazo[4',5':5,6]pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-8-one

  • Molecular FormulaC15H14BrN5O
  • Average mass360.209 Da
  • Monoisotopic mass359.038177 Da
  • ChemSpider ID35035317

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2e,3ar,14as)-9-Bromo-2-Imino-1,2,3,5,6,14a-Hexahydro-4h,8h-Imidazo[4',5':5,6]pyrrolo[1',2':4,5]pyrazino[1,2-A]indol-8-One
(3aR,14aS)-9-Brom-2-imino-1,2,3,5,6,14a-hexahydro-4H,8H-imidazo[4',5':5,6]pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-8-on [German] [ACD/IUPAC Name]
(3aR,14aS)-9-Bromo-2-imino-1,2,3,5,6,14a-hexahydro-4H,8H-imidazo[4',5':5,6]pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-8-one [ACD/IUPAC Name]
(3aR,14aS)-9-Bromo-2-imino-1,2,3,5,6,14a-hexahydro-4H,8H-imidazo[4',5':5,6]pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-8-one [French] [ACD/IUPAC Name]
4H,8H-Imidazo[4',5':5,6]pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-8-one, 9-bromo-1,2,3,5,6,14a-hexahydro-2-imino-, (3aR,14aS)- [ACD/Index Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 593.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 312.8±32.9 °C
Index of Refraction: 1.942
Molar Refractivity: 83.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.72
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.05
Polar Surface Area: 73 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 90.7±7.0 dyne/cm
Molar Volume: 174.5±7.0 cm3

Click to predict properties on the Chemicalize site


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