ChemSpider 2D Image | (1S,4R)-4-{[(2S,9R,9aR)-9-Hydroxy-2-isopropyl-3-oxo-2,3,9,9a-tetrahydro-1H-imidazo[1,2-a]indol-9-yl]methyl}-1-methyl-2H-pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione | C26H27N5O4

(1S,4R)-4-{[(2S,9R,9aR)-9-Hydroxy-2-isopropyl-3-oxo-2,3,9,9a-tetrahydro-1H-imidazo[1,2-a]indol-9-yl]methyl}-1-methyl-2H-pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione

  • Molecular FormulaC26H27N5O4
  • Average mass473.524 Da
  • Monoisotopic mass473.206299 Da
  • ChemSpider ID35516831

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,4R)-4-{[(2S,9R,9aR)-9-Hydroxy-2-isopropyl-3-oxo-2,3,9,9a-tetrahydro-1H-imidazo[1,2-a]indol-9-yl]methyl}-1-methyl-2H-pyrazino[2,1-b]chinazolin-3,6(1H,4H)-dion [German] [ACD/IUPAC Name]
(1S,4R)-4-{[(2S,9R,9aR)-9-Hydroxy-2-isopropyl-3-oxo-2,3,9,9a-tetrahydro-1H-imidazo[1,2-a]indol-9-yl]methyl}-1-methyl-2H-pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione [ACD/IUPAC Name]
(1S,4R)-4-{[(2S,9R,9aR)-9-Hydroxy-2-isopropyl-3-oxo-2,3,9,9a-tétrahydro-1H-imidazo[1,2-a]indol-9-yl]méthyl}-1-méthyl-2H-pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione [French] [ACD/IUPAC Name]
2H-Pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione, 1-methyl-4-[[(2S,9R,9aR)-2,3,9,9a-tetrahydro-9-hydroxy-2-(1-methylethyl)-3-oxo-1H-imidazo[1,2-a]indol-9-yl]methyl]-, (1S,4R)- [ACD/Index Name]
Fumiquinazoline S

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.769
Molar Refractivity: 127.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 2.34
ACD/KOC (pH 5.5): 63.27
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 2.44
ACD/KOC (pH 7.4): 65.97
Polar Surface Area: 114 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 65.0±7.0 dyne/cm
Molar Volume: 307.1±7.0 cm3

Click to predict properties on the Chemicalize site


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