ChemSpider 2D Image | (1S,4R)-4-{[(2S,9R,9aS)-9-Hydroxy-2-methyl-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 | C24H23N5O4

(1S,4R)-4-{[(2S,9R,9aS)-9-Hydroxy-2-methyl-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 FormulaC24H23N5O4
  • Average mass445.470 Da
  • Monoisotopic mass445.175018 Da
  • ChemSpider ID127384290

  • 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,9aS)-9-Hydroxy-2-methyl-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,9aS)-9-Hydroxy-2-methyl-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,9aS)-9-Hydroxy-2-méthyl-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,9aS)-2,3,9,9a-tetrahydro-9-hydroxy-2-methyl-3-oxo-1H-imidazo[1,2-a]indol-9-yl]methyl]-, (1S,4R)- [ACD/Index Name]
(1S,4R)-4-[[(2S,3aS,4S)-4-hydroxy-2-methyl-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
140715-85-1 [RN]
fumiquinazoline A

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: 1.805
Molar Refractivity: 118.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.07
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.25
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.60
Polar Surface Area: 114 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 71.5±7.0 dyne/cm
Molar Volume: 275.9±7.0 cm3

Click to predict properties on the Chemicalize site


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