ChemSpider 2D Image | (1S,4R)-4-Benzyl-1-sec-butyl-10-hydroxy-2H-pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione | C22H23N3O3

(1S,4R)-4-Benzyl-1-sec-butyl-10-hydroxy-2H-pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione

  • Molecular FormulaC22H23N3O3
  • Average mass377.436 Da
  • Monoisotopic mass377.173950 Da
  • ChemSpider ID40256682

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1S,4R)-4-Benzyl-1-sec-butyl-10-hydroxy-2H-pyrazino[2,1-b]chinazolin-3,6(1H,4H)-dion [German] [ACD/IUPAC Name]
(1S,4R)-4-Benzyl-1-sec-butyl-10-hydroxy-2H-pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione [ACD/IUPAC Name]
(1S,4R)-4-Benzyl-1-sec-butyl-10-hydroxy-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, 10-hydroxy-1-(1-methylpropyl)-4-(phenylmethyl)-, (1S,4R)- [ACD/Index Name]
Protuboxepin E

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.673
Molar Refractivity: 106.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.81
ACD/KOC (pH 5.5): 385.50
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 23.55
ACD/KOC (pH 7.4): 315.16
Polar Surface Area: 82 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 282.8±7.0 cm3

Click to predict properties on the Chemicalize site


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