ChemSpider 2D Image | (4S,6'R,9'Z)-2-Amino-9'-(6-bromo-3H-indol-3-ylidene)-3'-hydroxy-6'-methyl-2',3,5,6',8',11'-hexahydrospiro[imidazole-4,7'-pyrazino[2',3':6,7]cyclohepta[1,2,3-cd]indol]-10'(9'H)-one | C25H20BrN7O2

(4S,6'R,9'Z)-2-Amino-9'-(6-bromo-3H-indol-3-ylidene)-3'-hydroxy-6'-methyl-2',3,5,6',8',11'-hexahydrospiro[imidazole-4,7'-pyrazino[2',3':6,7]cyclohepta[1,2,3-cd]indol]-10'(9'H)-one

  • Molecular FormulaC25H20BrN7O2
  • Average mass530.376 Da
  • Monoisotopic mass529.086182 Da
  • ChemSpider ID8160050

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,6'R,9'Z)-2-Amino-9'-(6-bromo-3H-indol-3-ylidene)-3'-hydroxy-6'-methyl-2',3,5,6',8',11'-hexahydrospiro[imidazole-4,7'-pyrazino[2',3':6,7]cyclohepta[1,2,3-cd]indol]-10'(9'H)-one [ACD/IUPAC Name]
Spiro[4H-imidazole-4,7'-[7H]pyrazino[2',3':6,7]cyclohept[1,2,3-cd]indol]-10'(9'H)-one, 2-amino-9'-(6-bromo-3H-indol-3-ylidene)-2',3,5,6',8',11'-hexahydro-3'-hydroxy-6'-methyl-, (4S,6'R,9'Z)- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.935
Molar Refractivity: 129.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 1.15
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 140 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 84.7±7.0 dyne/cm
Molar Volume: 271.6±7.0 cm3

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