ChemSpider 2D Image | 3,4-Dichloro-N-(2-{[1-(2,4-dimethylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-pentylbenzamide | C29H36Cl2N4O2

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

  • Molecular FormulaC29H36Cl2N4O2
  • Average mass543.528 Da
  • Monoisotopic mass542.221558 Da
  • ChemSpider ID3217989

More details:

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

3,4-Dichlor-N-(2-{[1-(2,4-dimethylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-pentylbenzamid [German] [ACD/IUPAC Name]
3,4-Dichloro-N-(2-{[1-(2,4-dimethylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-pentylbenzamide [ACD/IUPAC Name]
3,4-Dichloro-N-(2-{[1-(2,4-diméthylphényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoéthyl)-N-pentylbenzamide [French] [ACD/IUPAC Name]
Benzamide, 3,4-dichloro-N-[2-[[3-(1,1-dimethylethyl)-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino]-2-oxoethyl]-N-pentyl- [ACD/Index Name]
N1-(2-{[3-(tert-butyl)-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3,4-dichloro-N1-pentylbenzamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 713.8±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: 385.5±32.9 °C
Index of Refraction: 1.583
Molar Refractivity: 152.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.18
ACD/LogD (pH 5.5): 7.61
ACD/BCF (pH 5.5): 354912.50
ACD/KOC (pH 5.5): 326841.03
ACD/LogD (pH 7.4): 7.61
ACD/BCF (pH 7.4): 354949.53
ACD/KOC (pH 7.4): 326875.13
Polar Surface Area: 67 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 40.8±7.0 dyne/cm
Molar Volume: 457.6±7.0 cm3

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