ChemSpider 2D Image | Methyl 2-{[(3-stearoyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate | C30H45N3O4

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

  • Molecular FormulaC30H45N3O4
  • Average mass511.696 Da
  • Monoisotopic mass511.341003 Da
  • ChemSpider ID24679037

More details:

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

2-{[(3-Stearoyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[[3-(1-oxooctadecyl)-1H-pyrazol-5-yl]carbonyl]amino]-, methyl ester [ACD/Index Name]
Methyl 2-{[(3-stearoyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate [ACD/IUPAC Name]
Methyl-2-{[(3-stearoyl-1H-pyrazol-5-yl)carbonyl]amino}benzoat [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: 622.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 330.2±30.1 °C
Index of Refraction: 1.543
Molar Refractivity: 149.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 10.37
ACD/LogD (pH 5.5): 9.63
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4106844.25
ACD/LogD (pH 7.4): 9.39
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2373629.50
Polar Surface Area: 101 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 473.4±3.0 cm3

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