ChemSpider 2D Image | 4-(5,11-Dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-{2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl]ethyl}butanamide | C32H33N5O4

4-(5,11-Dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-{2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl}butanamide

  • Molecular FormulaC32H33N5O4
  • Average mass551.635 Da
  • Monoisotopic mass551.253235 Da
  • ChemSpider ID60553091

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

4-(5,11-Dioxo-6a,11-dihydroisoindolo[2,1-a]chinazolin-6(5H)-yl)-N-{2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl}butanamid [German] [ACD/IUPAC Name]
4-(5,11-Dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-{2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl}butanamide [ACD/IUPAC Name]
4-(5,11-Dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-{2-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-11-yl]éthyl}butanamide [French] [ACD/IUPAC Name]
Isoindolo[2,1-a]quinazoline-6(5H)-butanamide, 6a,11-dihydro-5,11-dioxo-N-[2-[(1S,5R)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 884.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.6±3.0 kJ/mol
Flash Point: 488.8±34.3 °C
Index of Refraction: 1.718
Molar Refractivity: 153.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.88
ACD/LogD (pH 5.5): -0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 1.52
ACD/KOC (pH 7.4): 27.78
Polar Surface Area: 93 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 76.3±5.0 dyne/cm
Molar Volume: 388.3±5.0 cm3

Click to predict properties on the Chemicalize site


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