Found 2 results

Search term: XGMSBFCARQKIOJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R,9R,9aS)-2-(1H-Indol-3-ylmethyl)-12'-methyl-1,9a-dihydro-3'H,15'H-spiro[imidazo[1,2-a]indole-9,13'-[2,10,16]triazatetracyclo[10.2.2.0~2,11~.0~4,9~]hexadeca[4,6,8,10]tetraene]-3,3',15'(2H)-trione | C32H26N6O3

(2R,9R,9aS)-2-(1H-Indol-3-ylmethyl)-12'-methyl-1,9a-dihydro-3'H,15'H-spiro[imidazo[1,2-a]indole-9,13'-[2,10,16]triazatetracyclo[10.2.2.02,11.04,9]hexadeca[4,6,8,10]tetraene]-3,3',15'(2H)-trione

  • Molecular FormulaC32H26N6O3
  • Average mass542.587 Da
  • Monoisotopic mass542.206665 Da
  • ChemSpider ID78441897

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(2R,9R,9aS)-2-(1H-Indol-3-ylmethyl)-12'-methyl-1,9a-dihydro-3'H,15'H-spiro[imidazo[1,2-a]indole-9,13'-[2,10,16]triazatetracyclo[10.2.2.02,11.04,9]hexadeca[4,6,8,10]tetraene]-3,3',15'(2H)-trione [ACD/IUPAC Name]
Alanditrypinone

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.868
Molar Refractivity: 150.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 39.60
ACD/KOC (pH 5.5): 463.83
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 46.03
ACD/KOC (pH 7.4): 539.23
Polar Surface Area: 110 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 76.7±7.0 dyne/cm
Molar Volume: 332.3±7.0 cm3

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