ChemSpider 2D Image | Ethyl 4-{[(2-{[1-(2,4-dimethylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)(3-methoxypropyl)carbamoyl]amino}benzoate | C31H41N5O5

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

  • Molecular FormulaC31H41N5O5
  • Average mass563.688 Da
  • Monoisotopic mass563.310791 Da
  • ChemSpider ID3423894

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)(3-méthoxypropyl)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](3-methoxypropyl)amino]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)(3-methoxypropyl)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)(3-methoxypropyl)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: 763.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 415.7±32.9 °C
Index of Refraction: 1.571
Molar Refractivity: 159.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 6091.17
ACD/KOC (pH 5.5): 17810.13
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 6091.71
ACD/KOC (pH 7.4): 17811.71
Polar Surface Area: 115 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 41.6±7.0 dyne/cm
Molar Volume: 485.0±7.0 cm3

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