ChemSpider 2D Image | [(2S)-1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl]methyl pivalate | C30H40N2O10

[(2S)-1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl]methyl pivalate

  • Molecular FormulaC30H40N2O10
  • Average mass588.646 Da
  • Monoisotopic mass588.268311 Da
  • ChemSpider ID8206858

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(2S)-1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl]methyl pivalate [ACD/IUPAC Name]
[(2S)-1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl]methylpivalat [German] [ACD/IUPAC Name]
Pivalate de [(2S)-1,4-bis(3,4,5-triméthoxybenzoyl)-2-pipérazinyl]méthyle [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, [(2S)-1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl]methyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 730.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 395.9±32.9 °C
Index of Refraction: 1.538
Molar Refractivity: 154.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 249.91
ACD/KOC (pH 5.5): 1811.08
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 249.91
ACD/KOC (pH 7.4): 1811.08
Polar Surface Area: 122 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 493.8±3.0 cm3

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