ChemSpider 2D Image | 1,1'-(1,4-Piperazinediyl)bis{4-[3-(benzyloxy)phenyl]-1,2,4-butanetrione} | C38H34N2O8

1,1'-(1,4-Piperazinediyl)bis{4-[3-(benzyloxy)phenyl]-1,2,4-butanetrione}

  • Molecular FormulaC38H34N2O8
  • Average mass646.685 Da
  • Monoisotopic mass646.231506 Da
  • ChemSpider ID24685911

More details:

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

1,1'-(1,4-Piperazindiyl)bis{4-[3-(benzyloxy)phenyl]-1,2,4-butantrion} [German] [ACD/IUPAC Name]
1,1'-(1,4-Piperazinediyl)bis{4-[3-(benzyloxy)phenyl]-1,2,4-butanetrione} [ACD/IUPAC Name]
1,1'-(1,4-Pipérazinediyl)bis{4-[3-(benzyloxy)phényl]-1,2,4-butanetrione} [French] [ACD/IUPAC Name]
1,2,4-Butanetrione, 1,1'-(1,4-piperazinediyl)bis[4-[3-(phenylmethoxy)phenyl]- [ACD/Index Name]
4,4'-piperazine-1,4-diylbis{1-[3-(benzyloxy)phenyl]-4-oxobutane-1,3-dione}
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL443890/
LZP

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

Density: 1.3±0.1 g/cm3
Boiling Point: 823.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.7±3.0 kJ/mol
Flash Point: 451.7±37.1 °C
Index of Refraction: 1.617
Molar Refractivity: 174.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 522.92
ACD/KOC (pH 5.5): 3043.32
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 101.22
ACD/KOC (pH 7.4): 589.08
Polar Surface Area: 127 Å2
Polarizability: 69.3±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 499.6±3.0 cm3

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