ChemSpider 2D Image | N-(2-{[1-(2,4-Dimethylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide | C29H37N5O5

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

  • Molecular FormulaC29H37N5O5
  • Average mass535.635 Da
  • Monoisotopic mass535.279480 Da
  • ChemSpider ID2613791

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-(3-methoxypropyl)-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-(3-methoxypropyl)-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-(3-methoxypropyl)-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-(3-méthoxypropyl)-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: 734.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 397.8±32.9 °C
Index of Refraction: 1.584
Molar Refractivity: 150.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 5.15
ACD/BCF (pH 5.5): 4853.48
ACD/KOC (pH 5.5): 15137.55
ACD/LogD (pH 7.4): 5.15
ACD/BCF (pH 7.4): 4853.99
ACD/KOC (pH 7.4): 15139.15
Polar Surface Area: 122 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 449.9±7.0 cm3

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