ChemSpider 2D Image | Ethyl 4-{[(2-{[1-(2,4-dimethylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)(pentyl)carbamoyl]amino}benzoate | C32H43N5O4

Ethyl 4-{[(2-{[1-(2,4-dimethylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)(pentyl)carbamoyl]amino}benzoate

  • Molecular FormulaC32H43N5O4
  • Average mass561.715 Da
  • Monoisotopic mass561.331482 Da
  • ChemSpider ID2700603

More details:

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

4-{[(2-{[1-(2,4-Diméthylphényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoéthyl)(pentyl)carbamoyl]amino}benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[[2-[[3-(1,1-dimethylethyl)-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino]-2-oxoethyl]pentylamino]carbonyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-{[(2-{[1-(2,4-dimethylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)(pentyl)carbamoyl]amino}benzoate [ACD/IUPAC Name]
Ethyl-4-{[(2-{[1-(2,4-dimethylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)(pentyl)carbamoyl]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: 754.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 409.8±32.9 °C
Index of Refraction: 1.572
Molar Refractivity: 162.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.58
ACD/LogD (pH 5.5): 7.07
ACD/BCF (pH 5.5): 140331.39
ACD/KOC (pH 5.5): 168227.44
ACD/LogD (pH 7.4): 7.07
ACD/BCF (pH 7.4): 140344.80
ACD/KOC (pH 7.4): 168243.52
Polar Surface Area: 106 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 41.0±7.0 dyne/cm
Molar Volume: 494.6±7.0 cm3

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