ChemSpider 2D Image | Ethyl 1-{[2-({[2-(3,4-dimethoxyphenyl)ethyl](4-methoxybenzyl)amino}methyl)-1,3-thiazol-4-yl]carbonyl}-4-piperidinecarboxylate | C31H39N3O6S

Ethyl 1-{[2-({[2-(3,4-dimethoxyphenyl)ethyl](4-methoxybenzyl)amino}methyl)-1,3-thiazol-4-yl]carbonyl}-4-piperidinecarboxylate

  • Molecular FormulaC31H39N3O6S
  • Average mass581.723 Da
  • Monoisotopic mass581.255981 Da
  • ChemSpider ID3550828

More details:

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

1-{[2-({[2-(3,4-Diméthoxyphényl)éthyl](4-méthoxybenzyl)amino}méthyl)-1,3-thiazol-4-yl]carbonyl}-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[[2-[[[2-(3,4-dimethoxyphenyl)ethyl][(4-methoxyphenyl)methyl]amino]methyl]-4-thiazolyl]carbonyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{[2-({[2-(3,4-dimethoxyphenyl)ethyl](4-methoxybenzyl)amino}methyl)-1,3-thiazol-4-yl]carbonyl}-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-{[2-({[2-(3,4-dimethoxyphenyl)ethyl](4-methoxybenzyl)amino}methyl)-1,3-thiazol-4-yl]carbonyl}-4-piperidincarboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 695.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 374.5±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 159.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 428.28
ACD/KOC (pH 5.5): 2008.01
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1132.36
ACD/KOC (pH 7.4): 5309.14
Polar Surface Area: 119 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 477.8±3.0 cm3

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