ChemSpider 2D Image | Nalpha-(4-Chlorobenzyl)-Nalpha-[4-(2-oxobenzo[cd]indol-1(2H)-yl)butanoyl]-N-propylphenylalaninamide | C34H34ClN3O3

Nα-(4-Chlorobenzyl)-Nα-[4-(2-oxobenzo[cd]indol-1(2H)-yl)butanoyl]-N-propylphenylalaninamide

  • Molecular FormulaC34H34ClN3O3
  • Average mass568.105 Da
  • Monoisotopic mass567.228882 Da
  • ChemSpider ID68478217

More details:

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

Benz[cd]indole-1(2H)-butanamide, N-[(4-chlorophenyl)methyl]-2-oxo-N-[2-oxo-1-(phenylmethyl)-2-(propylamino)ethyl]- [ACD/Index Name]
Nα-(4-Chlorbenzyl)-Nα-[4-(2-oxobenzo[cd]indol-1(2H)-yl)butanoyl]-N-propylphenylalaninamid [German] [ACD/IUPAC Name]
Nα-(4-Chlorobenzyl)-Nα-[4-(2-oxobenzo[cd]indol-1(2H)-yl)butanoyl]-N-propylphenylalaninamide [ACD/IUPAC Name]
Nα-(4-Chlorobenzyl)-Nα-[4-(2-oxobenzo[cd]indol-1(2H)-yl)butanoyl]-N-propylphénylalaninamide [French] [ACD/IUPAC 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: 822.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.6±3.0 kJ/mol
Flash Point: 451.3±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 163.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.98
ACD/LogD (pH 5.5): 5.50
ACD/BCF (pH 5.5): 8902.89
ACD/KOC (pH 5.5): 23370.30
ACD/LogD (pH 7.4): 5.50
ACD/BCF (pH 7.4): 8902.90
ACD/KOC (pH 7.4): 23370.32
Polar Surface Area: 70 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 452.6±3.0 cm3

Click to predict properties on the Chemicalize site


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