ChemSpider 2D Image | Ethyl 3-{[(4-ethylbenzyl){[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}carbamoyl]amino}-3-phenylpropanoate | C32H36N4O4

Ethyl 3-{[(4-ethylbenzyl){[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}carbamoyl]amino}-3-phenylpropanoate

  • Molecular FormulaC32H36N4O4
  • Average mass540.653 Da
  • Monoisotopic mass540.273682 Da
  • ChemSpider ID21900254

More details:






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

3-{[(4-Éthylbenzyl){[3-(4-méthoxyphényl)-1H-pyrazol-4-yl]méthyl}carbamoyl]amino}-3-phénylpropanoate d'éthyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β-[[[[(4-ethylphenyl)methyl][[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]amino]carbonyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 3-{[(4-ethylbenzyl){[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}carbamoyl]amino}-3-phenylpropanoate [ACD/IUPAC Name]
Ethyl-3-{[(4-ethylbenzyl){[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}carbamoyl]amino}-3-phenylpropanoat [German] [ACD/IUPAC Name]
ETHYL 3-({[(4-ETHYLPHENYL)METHYL]({[3-(4-METHOXYPHENYL)-1H-PYRAZOL-4-YL]METHYL})CARBAMOYL}AMINO)-3-PHENYLPROPANOATE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 786.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.4±3.0 kJ/mol
Flash Point: 429.6±32.9 °C
Index of Refraction: 1.599
Molar Refractivity: 155.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 5.40
ACD/BCF (pH 5.5): 7537.56
ACD/KOC (pH 5.5): 20738.79
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 7544.83
ACD/KOC (pH 7.4): 20758.82
Polar Surface Area: 97 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 453.8±3.0 cm3

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