ChemSpider 2D Image | N-Butyl-2-chloro-N-(2-{[1-(4-methoxyphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-nitrobenzamide | C27H32ClN5O5

N-Butyl-2-chloro-N-(2-{[1-(4-methoxyphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-nitrobenzamide

  • Molecular FormulaC27H32ClN5O5
  • Average mass542.026 Da
  • Monoisotopic mass541.209167 Da
  • ChemSpider ID22590914

More details:

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

Benzamide, N-butyl-2-chloro-N-[2-[[3-(1,1-dimethylethyl)-1-(4-methoxyphenyl)-1H-pyrazol-5-yl]amino]-2-oxoethyl]-4-nitro- [ACD/Index Name]
N-Butyl-2-chlor-N-(2-{[1-(4-methoxyphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-nitrobenzamid [German] [ACD/IUPAC Name]
N-Butyl-2-chloro-N-(2-{[1-(4-methoxyphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-nitrobenzamide [ACD/IUPAC Name]
N-Butyl-2-chloro-N-(2-{[1-(4-méthoxyphényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoéthyl)-4-nitrobenzamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 737.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 399.8±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 146.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 6.37
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 5719.46
ACD/KOC (pH 5.5): 17025.23
ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 7.4): 5720.05
ACD/KOC (pH 7.4): 17027.00
Polar Surface Area: 122 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 428.8±7.0 cm3

Click to predict properties on the Chemicalize site


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