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

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

  • Molecular FormulaC32H35N5O4
  • Average mass553.651 Da
  • Monoisotopic mass553.268921 Da
  • ChemSpider ID2723054

More details:

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

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 741.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 401.9±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 159.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 5.32
ACD/BCF (pH 5.5): 6512.08
ACD/KOC (pH 5.5): 18682.88
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 6512.36
ACD/KOC (pH 7.4): 18683.68
Polar Surface Area: 106 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 44.8±7.0 dyne/cm
Molar Volume: 462.5±7.0 cm3

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