ChemSpider 2D Image | Ethyl 1-{[2-({[4-(benzyloxy)benzyl][2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-1,3-thiazol-4-yl]carbonyl}-3-piperidinecarboxylate | C37H43N3O6S

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

  • Molecular FormulaC37H43N3O6S
  • Average mass657.819 Da
  • Monoisotopic mass657.287231 Da
  • ChemSpider ID4253106

More details:

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

1-{[2-({[4-(Benzyloxy)benzyl][2-(3,4-diméthoxyphényl)éthyl]amino}méthyl)-1,3-thiazol-4-yl]carbonyl}-3-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[[2-[[[2-(3,4-dimethoxyphenyl)ethyl][[4-(phenylmethoxy)phenyl]methyl]amino]methyl]-4-thiazolyl]carbonyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{[2-({[4-(benzyloxy)benzyl][2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-1,3-thiazol-4-yl]carbonyl}-3-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-{[2-({[4-(benzyloxy)benzyl][2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-1,3-thiazol-4-yl]carbonyl}-3-piperidincarboxylat [German] [ACD/IUPAC 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: 764.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 416.0±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 184.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 5.16
ACD/BCF (pH 5.5): 3724.16
ACD/KOC (pH 5.5): 8991.49
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 11625.93
ACD/KOC (pH 7.4): 28069.25
Polar Surface Area: 119 Å2
Polarizability: 73.1±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 538.5±3.0 cm3

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