ChemSpider 2D Image | Ethyl 5-[2-(1-{[3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-1,2-oxazol-4-yl]carbonyl}-4-piperidinyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate | C22H22N6O5S2

Ethyl 5-[2-(1-{[3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-1,2-oxazol-4-yl]carbonyl}-4-piperidinyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate

  • Molecular FormulaC22H22N6O5S2
  • Average mass514.577 Da
  • Monoisotopic mass514.109314 Da
  • ChemSpider ID3560677

More details:

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

3-Isoxazolecarboxylic acid, 5-[2-[1-[[3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4-isoxazolyl]carbonyl]-4-piperidinyl]-4-thiazolyl]-, ethyl ester [ACD/Index Name]
5-[2-(1-{[3-Méthyl-5-(4-méthyl-1,2,3-thiadiazol-5-yl)-1,2-oxazol-4-yl]carbonyl}-4-pipéridinyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-[2-(1-{[3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-1,2-oxazol-4-yl]carbonyl}-4-piperidinyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-[2-(1-{[3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-1,2-oxazol-4-yl]carbonyl}-4-piperidinyl)-1,3-thiazol-4-yl]-1,2-oxazol-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 769.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 419.4±35.7 °C
Index of Refraction: 1.613
Molar Refractivity: 127.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 23.77
ACD/KOC (pH 5.5): 336.22
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 23.77
ACD/KOC (pH 7.4): 336.23
Polar Surface Area: 194 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 64.7±3.0 dyne/cm
Molar Volume: 366.9±3.0 cm3

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