Found 3 results

Search term: PWBABZVMHZFPLP (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (4R)-4-Butyl-2-phenyl-6-[(1R)-1-phenylethyl]-4,6,8,9,9a,9b-hexahydro-1H-pyrrolo[3,4-f]quinoline-1,3,7(2H,3aH)-trione | C29H32N2O3

(4R)-4-Butyl-2-phenyl-6-[(1R)-1-phenylethyl]-4,6,8,9,9a,9b-hexahydro-1H-pyrrolo[3,4-f]quinoline-1,3,7(2H,3aH)-trione

  • Molecular FormulaC29H32N2O3
  • Average mass456.576 Da
  • Monoisotopic mass456.241302 Da
  • ChemSpider ID30651076

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

(4R)-4-Butyl-2-phenyl-6-[(1R)-1-phenylethyl]-4,6,8,9,9a,9b-hexahydro-1H-pyrrolo[3,4-f]chinolin-1,3,7(2H,3aH)-trion [German] [ACD/IUPAC Name]
(4R)-4-Butyl-2-phényl-6-[(1R)-1-phényléthyl]-4,6,8,9,9a,9b-hexahydro-1H-pyrrolo[3,4-f]quinoléine-1,3,7(2H,3aH)-trione [French] [ACD/IUPAC Name]
(4R)-4-Butyl-2-phenyl-6-[(1R)-1-phenylethyl]-4,6,8,9,9a,9b-hexahydro-1H-pyrrolo[3,4-f]quinoline-1,3,7(2H,3aH)-trione [ACD/IUPAC Name]
1H-Pyrrolo[3,4-f]quinoline-1,3,7(2H,3aH)-trione, 4-butyl-4,6,8,9,9a,9b-hexahydro-2-phenyl-6-[(1R)-1-phenylethyl]-, (4R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 698.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 312.5±23.9 °C
Index of Refraction: 1.631
Molar Refractivity: 131.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2679.10
ACD/KOC (pH 5.5): 9893.50
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2679.10
ACD/KOC (pH 7.4): 9893.51
Polar Surface Area: 58 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 369.8±5.0 cm3

Click to predict properties on the Chemicalize site


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