ChemSpider 2D Image | 4-[1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-chlorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-methoxyphenyl benzoate | C33H24ClNO8

4-[1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-chlorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-methoxyphenyl benzoate

  • Molecular FormulaC33H24ClNO8
  • Average mass597.999 Da
  • Monoisotopic mass597.119019 Da
  • ChemSpider ID117944726

More details:

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

2H-Pyrrol-2-one, 1-(1,3-benzodioxol-5-ylmethyl)-5-[4-(benzoyloxy)-3-methoxyphenyl]-4-(2-chlorobenzoyl)-1,5-dihydro-3-hydroxy- [ACD/Index Name]
4-[1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-chlorbenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-methoxyphenyl-benzoat [German] [ACD/IUPAC Name]
4-[1-(1,3-Benzodioxol-5-ylmethyl)-3-(2-chlorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-methoxyphenyl benzoate [ACD/IUPAC Name]
Benzoate de 4-[1-(1,3-benzodioxol-5-ylméthyl)-3-(2-chlorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-méthoxyphényle [French] [ACD/IUPAC 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: 823.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.4±3.0 kJ/mol
Flash Point: 451.7±34.3 °C
Index of Refraction: 1.680
Molar Refractivity: 156.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 390.72
ACD/KOC (pH 5.5): 1262.63
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 6.74
ACD/KOC (pH 7.4): 21.78
Polar Surface Area: 112 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 65.8±3.0 dyne/cm
Molar Volume: 412.6±3.0 cm3

Click to predict properties on the Chemicalize site


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