ChemSpider 2D Image | N-(2-{[1-(2,4-Dimethylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3,5-dimethoxy-N-pentylbenzamide | C31H42N4O4

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

  • Molecular FormulaC31H42N4O4
  • Average mass534.690 Da
  • Monoisotopic mass534.320618 Da
  • ChemSpider ID3558237

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]-3,5-dimethoxy-N-pentyl- [ACD/Index Name]
N-(2-{[1-(2,4-Dimethylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3,5-dimethoxy-N-pentylbenzamid [German] [ACD/IUPAC Name]
N-(2-{[1-(2,4-Dimethylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3,5-dimethoxy-N-pentylbenzamide [ACD/IUPAC Name]
N-(2-{[1-(2,4-Diméthylphényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoéthyl)-3,5-diméthoxy-N-pentylbenzamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 727.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 393.8±32.9 °C
Index of Refraction: 1.557
Molar Refractivity: 155.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.76
ACD/LogD (pH 5.5): 6.54
ACD/BCF (pH 5.5): 54677.15
ACD/KOC (pH 5.5): 85682.45
ACD/LogD (pH 7.4): 6.54
ACD/BCF (pH 7.4): 54681.89
ACD/KOC (pH 7.4): 85689.88
Polar Surface Area: 86 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 38.2±7.0 dyne/cm
Molar Volume: 482.3±7.0 cm3

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