ChemSpider 2D Image | (1R,4R)-4-{(2R)-2-Hydroxy-2-[(2R,4S)-4-isopropyl-5-oxo-1-phenyl-2-imidazolidinyl]propyl}-1-methyl-2H-pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione | C27H31N5O4

(1R,4R)-4-{(2R)-2-Hydroxy-2-[(2R,4S)-4-isopropyl-5-oxo-1-phenyl-2-imidazolidinyl]propyl}-1-methyl-2H-pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione

  • Molecular FormulaC27H31N5O4
  • Average mass489.566 Da
  • Monoisotopic mass489.237610 Da
  • ChemSpider ID78441086

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1R,4R)-4-{(2R)-2-Hydroxy-2-[(2R,4S)-4-isopropyl-5-oxo-1-phenyl-2-imidazolidinyl]propyl}-1-methyl-2H-pyrazino[2,1-b]chinazolin-3,6(1H,4H)-dion [German] [ACD/IUPAC Name]
(1R,4R)-4-{(2R)-2-Hydroxy-2-[(2R,4S)-4-isopropyl-5-oxo-1-phenyl-2-imidazolidinyl]propyl}-1-methyl-2H-pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione [ACD/IUPAC Name]
(1R,4R)-4-{(2R)-2-Hydroxy-2-[(2R,4S)-4-isopropyl-5-oxo-1-phényl-2-imidazolidinyl]propyl}-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, 4-[(2R)-2-hydroxy-2-[(2R,4S)-4-(1-methylethyl)-5-oxo-1-phenyl-2-imidazolidinyl]propyl]-1-methyl-, (1R,4R)- [ACD/Index Name]
aniquinazoline B

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.693
Molar Refractivity: 134.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 5.36
ACD/KOC (pH 5.5): 111.26
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 6.13
ACD/KOC (pH 7.4): 127.41
Polar Surface Area: 114 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 350.8±7.0 cm3

Click to predict properties on the Chemicalize site


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