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ChemSpider 2D Image | 4-Methyl-N-(3-methylbutyl)-N-(2-{[1-(3-methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3-nitrobenzamide | C29H37N5O4

4-Methyl-N-(3-methylbutyl)-N-(2-{[1-(3-methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3-nitrobenzamide

  • Molecular FormulaC29H37N5O4
  • Average mass519.635 Da
  • Monoisotopic mass519.284546 Da
  • ChemSpider ID3772118

More details:






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

4-Methyl-N-(3-methylbutyl)-N-(2-{[1-(3-methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3-nitrobenzamid [German] [ACD/IUPAC Name]
4-Methyl-N-(3-methylbutyl)-N-(2-{[1-(3-methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3-nitrobenzamide [ACD/IUPAC Name]
4-Méthyl-N-(3-méthylbutyl)-N-(2-{[1-(3-méthylphényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoéthyl)-3-nitrobenzamide [French] [ACD/IUPAC Name]
Benzamide, N-[2-[[3-(1,1-dimethylethyl)-1-(3-methylphenyl)-1H-pyrazol-5-yl]amino]-2-oxoethyl]-4-methyl-N-(3-methylbutyl)-3-nitro- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 714.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 385.7±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 149.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10740.30
ACD/KOC (pH 5.5): 26728.98
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10740.99
ACD/KOC (pH 7.4): 26730.71
Polar Surface Area: 113 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 43.2±7.0 dyne/cm
Molar Volume: 443.4±7.0 cm3

Click to predict properties on the Chemicalize site






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