ChemSpider 2D Image | Ethyl 1-{[5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-yl]carbonyl}-3-piperidinecarboxylate | C21H27N3O7S

Ethyl 1-{[5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-yl]carbonyl}-3-piperidinecarboxylate

  • Molecular FormulaC21H27N3O7S
  • Average mass465.520 Da
  • Monoisotopic mass465.156982 Da
  • ChemSpider ID22218033

More details:

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

1-{[5-(2,5-Diméthoxyphényl)-2-méthyl-1,1-dioxydo-2H-1,2,6-thiadiazin-3-yl]carbonyl}-3-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[[5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-yl]carbonyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{[5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-yl]carbonyl}-3-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-{[5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-yl]carbonyl}-3-piperidincarboxylat [German] [ACD/IUPAC Name]
1-[5-(2,5-Dimethoxy-phenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1λ*6*-[1,2,6]thiadiazine-3-carbonyl]-piperidine-3-carboxylic acid ethyl ester
ethyl 1-{[5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]carbonyl}piperidine-3-carboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 653.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 349.1±34.3 °C
Index of Refraction: 1.603
Molar Refractivity: 117.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.43
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 2.63
ACD/KOC (pH 5.5): 69.57
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 2.63
ACD/KOC (pH 7.4): 69.58
Polar Surface Area: 123 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 342.0±7.0 cm3

Click to predict properties on the Chemicalize site


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