ChemSpider 2D Image | Methyl 3-{[(3-stearoyl-1H-pyrazol-5-yl)carbonyl]amino}-2-thiophenecarboxylate | C28H43N3O4S

Methyl 3-{[(3-stearoyl-1H-pyrazol-5-yl)carbonyl]amino}-2-thiophenecarboxylate

  • Molecular FormulaC28H43N3O4S
  • Average mass517.724 Da
  • Monoisotopic mass517.297424 Da
  • ChemSpider ID24679567

More details:

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

2-Thiophenecarboxylic acid, 3-[[[3-(1-oxooctadecyl)-1H-pyrazol-5-yl]carbonyl]amino]-, methyl ester [ACD/Index Name]
3-{[(3-Stearoyl-1H-pyrazol-5-yl)carbonyl]amino}-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-{[(3-stearoyl-1H-pyrazol-5-yl)carbonyl]amino}-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-3-{[(3-stearoyl-1H-pyrazol-5-yl)carbonyl]amino}-2-thiophencarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 625.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 332.2±31.5 °C
Index of Refraction: 1.551
Molar Refractivity: 147.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 9.97
ACD/LogD (pH 5.5): 9.28
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2669185.25
ACD/LogD (pH 7.4): 9.24
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2434451.75
Polar Surface Area: 129 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 462.9±3.0 cm3

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