ChemSpider 2D Image | Propyl 4-{[({4-oxo-4-[(4-phenoxyphenyl)amino]butanoyl}oxy)acetyl]amino}benzoate | C28H28N2O7

Propyl 4-{[({4-oxo-4-[(4-phenoxyphenyl)amino]butanoyl}oxy)acetyl]amino}benzoate

  • Molecular FormulaC28H28N2O7
  • Average mass504.531 Da
  • Monoisotopic mass504.189636 Da
  • ChemSpider ID12811380

More details:

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

4-{[2-({4-Oxo-4-[(4-phénoxyphényl)amino]butanoyl}oxy)acétyl]amino}benzoate de propyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-[1,4-dioxo-4-[(4-phenoxyphenyl)amino]butoxy]acetyl]amino]-, propyl ester [ACD/Index Name]
Propyl 4-{[({4-oxo-4-[(4-phenoxyphenyl)amino]butanoyl}oxy)acetyl]amino}benzoate [ACD/IUPAC Name]
Propyl-4-{[({4-oxo-4-[(4-phenoxyphenyl)amino]butanoyl}oxy)acetyl]amino}benzoat [German] [ACD/IUPAC Name]
4-{2-[3-(4-Phenoxy-phenylcarbamoyl)-propionyloxy]-acetylamino}-benzoic acid propyl ester
benzoic acid, 4-[[[1,4-dioxo-4-[(4-phenoxyphenyl)amino]butoxy]acetyl]amino]-, propyl ester
PROPYL 4-[2-({3-[(4-PHENOXYPHENYL)CARBAMOYL]PROPANOYL}OXY)ACETAMIDO]BENZOATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 752.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 408.8±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 137.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1313.97
ACD/KOC (pH 5.5): 5941.28
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1313.97
ACD/KOC (pH 7.4): 5941.26
Polar Surface Area: 120 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 394.5±3.0 cm3

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