ChemSpider 2D Image | Ethyl N-[isobutyl(2-{[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)carbamoyl]glycinate | C28H35N5O4

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

  • Molecular FormulaC28H35N5O4
  • Average mass505.609 Da
  • Monoisotopic mass505.268890 Da
  • ChemSpider ID2771376

More details:

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

Ethyl N-[isobutyl(2-{[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)carbamoyl]glycinate [ACD/IUPAC Name]
Ethyl-N-[isobutyl(2-{[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)carbamoyl]glycinat [German] [ACD/IUPAC Name]
Glycine, N-[[[2-[[3-methyl-1-(4-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino]-2-oxoethyl](2-methylpropyl)amino]carbonyl]-, ethyl ester [ACD/Index Name]
N-[Isobutyl(2-{[3-méthyl-1-(4-méthylphényl)-4-phényl-1H-pyrazol-5-yl]amino}-2-oxoéthyl)carbamoyl]glycinate d'éthyle [French] [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: 695.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 374.2±31.5 °C
Index of Refraction: 1.590
Molar Refractivity: 144.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1152.14
ACD/KOC (pH 5.5): 5407.73
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1151.84
ACD/KOC (pH 7.4): 5406.35
Polar Surface Area: 106 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 426.9±7.0 cm3

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