ChemSpider 2D Image | 1-{Allyl[4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoyl]amino}-N-phenylcyclopentanecarboxamide | C31H31N3O4

1-{Allyl[4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoyl]amino}-N-phenylcyclopentanecarboxamide

  • Molecular FormulaC31H31N3O4
  • Average mass509.595 Da
  • Monoisotopic mass509.231445 Da
  • ChemSpider ID2810087

More details:

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

1-{Allyl[4-(1,3-dioxo-1H-benzo[de]isochinolin-2(3H)-yl)butanoyl]amino}-N-phenylcyclopentancarboxamid [German] [ACD/IUPAC Name]
1-{Allyl[4-(1,3-dioxo-1H-benzo[de]isoquinoléin-2(3H)-yl)butanoyl]amino}-N-phénylcyclopentanecarboxamide [French] [ACD/IUPAC Name]
1-{Allyl[4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoyl]amino}-N-phenylcyclopentanecarboxamide [ACD/IUPAC Name]
1H-Benz[de]isoquinoline-2(3H)-butanamide, 1,3-dioxo-N-[1-[(phenylamino)carbonyl]cyclopentyl]-N-2-propen-1-yl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 759.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 413.0±32.9 °C
Index of Refraction: 1.667
Molar Refractivity: 146.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 759.53
ACD/KOC (pH 5.5): 4013.23
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 759.54
ACD/KOC (pH 7.4): 4013.27
Polar Surface Area: 87 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 392.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement