ChemSpider 2D Image | 1-Oxo-1-phenyl-2-propanyl 4-[(5-{[1-(4-chlorophenyl)-1-oxo-2-propanyl]oxy}-5-oxopentanoyl)amino]benzoate | C30H28ClNO7

1-Oxo-1-phenyl-2-propanyl 4-[(5-{[1-(4-chlorophenyl)-1-oxo-2-propanyl]oxy}-5-oxopentanoyl)amino]benzoate

  • Molecular FormulaC30H28ClNO7
  • Average mass549.999 Da
  • Monoisotopic mass549.155457 Da
  • ChemSpider ID2747680

More details:

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

1-Oxo-1-phenyl-2-propanyl 4-[(5-{[1-(4-chlorophenyl)-1-oxo-2-propanyl]oxy}-5-oxopentanoyl)amino]benzoate [ACD/IUPAC Name]
1-Oxo-1-phenyl-2-propanyl-4-[(5-{[1-(4-chlorphenyl)-1-oxo-2-propanyl]oxy}-5-oxopentanoyl)amino]benzoat [German] [ACD/IUPAC Name]
4-[(5-{[1-(4-Chlorophényl)-1-oxo-2-propanyl]oxy}-5-oxopentanoyl)amino]benzoate de 1-oxo-1-phényl-2-propanyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[5-[2-(4-chlorophenyl)-1-methyl-2-oxoethoxy]-1,5-dioxopentyl]amino]-, 1-methyl-2-oxo-2-phenylethyl ester [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: 751.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 408.0±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 145.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.61
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10733.01
ACD/KOC (pH 5.5): 26716.51
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10733.01
ACD/KOC (pH 7.4): 26716.51
Polar Surface Area: 116 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 427.5±3.0 cm3

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