ChemSpider 2D Image | Ethyl 4-[3-hydroxy-4-(4-methoxybenzoyl)-5-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-1-piperidinecarboxylate | C28H29N3O10

Ethyl 4-[3-hydroxy-4-(4-methoxybenzoyl)-5-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-1-piperidinecarboxylate

  • Molecular FormulaC28H29N3O10
  • Average mass567.544 Da
  • Monoisotopic mass567.185303 Da
  • ChemSpider ID117944265

More details:

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

1-Piperidinecarboxylic acid, 4-[2-(2,3-dihydro-7-nitro-1,4-benzodioxin-6-yl)-2,5-dihydro-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-1H-pyrrol-1-yl]-, ethyl ester [ACD/Index Name]
4-[3-Hydroxy-4-(4-méthoxybenzoyl)-5-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-1-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[3-hydroxy-4-(4-methoxybenzoyl)-5-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-1-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[3-hydroxy-4-(4-methoxybenzoyl)-5-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-1-piperidincarboxylat [German] [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: 754.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 409.9±32.9 °C
Index of Refraction: 1.639
Molar Refractivity: 141.7±0.3 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 4.24
ACD/KOC (pH 5.5): 49.53
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 161 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 66.5±3.0 dyne/cm
Molar Volume: 393.8±3.0 cm3

Click to predict properties on the Chemicalize site


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