ChemSpider 2D Image | Ethyl 4-{[(2-{[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)(propyl)carbamoyl]amino}benzoate | C32H35N5O4

Ethyl 4-{[(2-{[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)(propyl)carbamoyl]amino}benzoate

  • Molecular FormulaC32H35N5O4
  • Average mass553.651 Da
  • Monoisotopic mass553.268921 Da
  • ChemSpider ID4361392

More details:

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

4-{[(2-{[3-Méthyl-1-(4-méthylphényl)-4-phényl-1H-pyrazol-5-yl]amino}-2-oxoéthyl)(propyl)carbamoyl]amino}benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[[2-[[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino]-2-oxoethyl]propylamino]carbonyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-{[(2-{[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)(propyl)carbamoyl]amino}benzoate [ACD/IUPAC Name]
Ethyl-4-{[(2-{[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)(propyl)carbamoyl]amino}benzoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 745.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 404.6±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 160.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 5073.75
ACD/KOC (pH 5.5): 15626.41
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 5073.98
ACD/KOC (pH 7.4): 15627.13
Polar Surface Area: 106 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 463.4±7.0 cm3

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