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

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

  • Molecular FormulaC29H36Cl2N4O2
  • Average mass543.528 Da
  • Monoisotopic mass542.221558 Da
  • ChemSpider ID2818307

More details:

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

Benzamide, N-[2-[[1-(3,4-dichlorophenyl)-3-(1,1-dimethylethyl)-1H-pyrazol-5-yl]amino]-2-oxoethyl]-4-(1,1-dimethylethyl)-N-propyl- [ACD/Index Name]
N-(2-{[1-(3,4-Dichlorophenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-(2-methyl-2-propanyl)-N-propylbenzamide [ACD/IUPAC Name]
N-(2-{[1-(3,4-Dichlorophényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoéthyl)-4-(2-méthyl-2-propanyl)-N-propylbenzamide [French] [ACD/IUPAC Name]
N-(2-{[1-(3,4-Dichlorphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-4-(2-methyl-2-propanyl)-N-propylbenzamid [German] [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: 692.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 372.8±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 153.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.51
ACD/LogD (pH 5.5): 7.01
ACD/BCF (pH 5.5): 124718.82
ACD/KOC (pH 5.5): 154612.38
ACD/LogD (pH 7.4): 7.01
ACD/BCF (pH 7.4): 124719.38
ACD/KOC (pH 7.4): 154613.06
Polar Surface Area: 67 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 40.2±7.0 dyne/cm
Molar Volume: 462.1±7.0 cm3

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