ChemSpider 2D Image | 6-(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}hexanamide | C34H37N5O4

6-(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}hexanamide

  • Molecular FormulaC34H37N5O4
  • Average mass579.689 Da
  • Monoisotopic mass579.284546 Da
  • ChemSpider ID58172913

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

6-(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}hexanamid [German] [ACD/IUPAC Name]
6-(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}hexanamide [ACD/IUPAC Name]
6-(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}hexanamide [French] [ACD/IUPAC Name]
Isoindolo[2,1-a]quinazoline-6(5H)-hexanamide, 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: 891.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.6±3.0 kJ/mol
Flash Point: 492.9±34.3 °C
Index of Refraction: 1.699
Molar Refractivity: 162.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.41
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.08
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 3.91
ACD/KOC (pH 7.4): 54.46
Polar Surface Area: 93 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 72.7±5.0 dyne/cm
Molar Volume: 420.4±5.0 cm3

Click to predict properties on the Chemicalize site


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