ChemSpider 2D Image | 3-[4-(3-{[(2E)-3-(3,4,5-Trimethoxyphenyl)-2-propenoyl]oxy}propyl)-1-piperazinyl]propyl 9-anthracenecarboxylate | C37H42N2O7

3-[4-(3-{[(2E)-3-(3,4,5-Trimethoxyphenyl)-2-propenoyl]oxy}propyl)-1-piperazinyl]propyl 9-anthracenecarboxylate

  • Molecular FormulaC37H42N2O7
  • Average mass626.739 Da
  • Monoisotopic mass626.299194 Da
  • ChemSpider ID9789033

  • Double-bond stereo - Double-bond stereo

More details:

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

3-[4-(3-{[(2E)-3-(3,4,5-Trimethoxyphenyl)-2-propenoyl]oxy}propyl)-1-piperazinyl]propyl 9-anthracenecarboxylate [ACD/IUPAC Name]
3-[4-(3-{[(2E)-3-(3,4,5-Trimethoxyphenyl)-2-propenoyl]oxy}propyl)-1-piperazinyl]propyl-9-anthracencarboxylat [German] [ACD/IUPAC Name]
3-[4-(3-{[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}propyl)piperazin-1-yl]propyl anthracene-9-carboxylate
9-Anthracènecarboxylate de 3-[4-(3-{[(2E)-3-(3,4,5-triméthoxyphényl)-2-propenoyl]oxy}propyl)-1-pipérazinyl]propyle [French] [ACD/IUPAC Name]
9-Anthracenecarboxylic acid, 3-[4-[3-[[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]oxy]propyl]-1-piperazinyl]propyl ester [ACD/Index Name]
3-(4-(3-(3-(3,4,5-trimethoxyphenyl)acryloyloxy)propyl)piperazin-1-yl)propyl anthracene-10-carboxylate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL388849/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 779.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.5±3.0 kJ/mol
Flash Point: 425.5±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 182.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 6.43
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 199.40
ACD/KOC (pH 5.5): 433.17
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 8058.41
ACD/KOC (pH 7.4): 17505.42
Polar Surface Area: 87 Å2
Polarizability: 72.3±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 524.6±3.0 cm3

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