ChemSpider 2D Image | Methyl 3-{[3-(1H-indol-3-yl)-2-{[(4-phenyl-1-piperazinyl)acetyl]amino}propyl](2-methoxybenzyl)amino}-3-oxopropanoate | C35H41N5O5

Methyl 3-{[3-(1H-indol-3-yl)-2-{[(4-phenyl-1-piperazinyl)acetyl]amino}propyl](2-methoxybenzyl)amino}-3-oxopropanoate

  • Molecular FormulaC35H41N5O5
  • Average mass611.731 Da
  • Monoisotopic mass611.310791 Da
  • ChemSpider ID8969146

More details:

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

3-{[3-(1H-Indol-3-yl)-2-{[2-(4-phényl-1-pipérazinyl)acétyl]amino}propyl](2-méthoxybenzyl)amino}-3-oxopropanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-{[3-(1H-indol-3-yl)-2-{[(4-phenyl-1-piperazinyl)acetyl]amino}propyl](2-methoxybenzyl)amino}-3-oxopropanoate [ACD/IUPAC Name]
methyl 3-{[3-(1H-indol-3-yl)-2-{[(4-phenylpiperazin-1-yl)acetyl]amino}propyl](2-methoxybenzyl)amino}-3-oxopropanoate
Methyl-3-{[3-(1H-indol-3-yl)-2-{[(4-phenyl-1-piperazinyl)acetyl]amino}propyl](2-methoxybenzyl)amino}-3-oxopropanoat [German] [ACD/IUPAC Name]
Propanoic acid, 3-[[3-(1H-indol-3-yl)-2-[[2-(4-phenyl-1-piperazinyl)acetyl]amino]propyl][(2-methoxyphenyl)methyl]amino]-3-oxo-, methyl ester [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL350846/
N-{3-(1H-Indol-3-yl)-2-[2-(4-phenyl-piperazin-1-yl)-acetylamino]-propyl}-N-(2-methoxy-benzyl)-malonamic acid methyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 853.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.0±3.0 kJ/mol
Flash Point: 469.9±34.3 °C
Index of Refraction: 1.619
Molar Refractivity: 173.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 315.60
ACD/KOC (pH 5.5): 1439.15
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1148.32
ACD/KOC (pH 7.4): 5236.41
Polar Surface Area: 107 Å2
Polarizability: 68.8±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 494.4±3.0 cm3

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