ChemSpider 2D Image | N-(2-{[1-(2,4-Dimethylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-(2-methoxyethyl)-4-methyl-3-nitrobenzamide | C28H35N5O5

N-(2-{[1-(2,4-Dimethylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-(2-methoxyethyl)-4-methyl-3-nitrobenzamide

  • Molecular FormulaC28H35N5O5
  • Average mass521.608 Da
  • Monoisotopic mass521.263794 Da
  • ChemSpider ID2767661

More details:

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

Benzamide, N-[2-[[3-(1,1-dimethylethyl)-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methyl-3-nitro- [ACD/Index Name]
N-(2-{[1-(2,4-Dimethylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-(2-methoxyethyl)-4-methyl-3-nitrobenzamid [German] [ACD/IUPAC Name]
N-(2-{[1-(2,4-Dimethylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-(2-methoxyethyl)-4-methyl-3-nitrobenzamide [ACD/IUPAC Name]
N-(2-{[1-(2,4-Diméthylphényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoéthyl)-N-(2-méthoxyéthyl)-4-méthyl-3-nitrobenzamide [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: 723.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 391.6±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 146.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3747.10
ACD/KOC (pH 5.5): 12578.58
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 3747.49
ACD/KOC (pH 7.4): 12579.90
Polar Surface Area: 122 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 44.0±7.0 dyne/cm
Molar Volume: 433.8±7.0 cm3

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