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

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

  • Molecular FormulaC29H36Cl2N4O2
  • Average mass543.528 Da
  • Monoisotopic mass542.221558 Da
  • ChemSpider ID3203611

More details:

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

Benzeneacetamide, N-butyl-N-[2-[[1-(3,4-dichlorophenyl)-3-(1,1-dimethylethyl)-1H-pyrazol-5-yl]amino]-2-oxoethyl]-α-ethyl- [ACD/Index Name]
N-Butyl-N-(2-{[1-(3,4-dichlorophenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-2-phenylbutanamide [ACD/IUPAC Name]
N-Butyl-N-(2-{[1-(3,4-dichlorophényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoéthyl)-2-phénylbutanamide [French] [ACD/IUPAC Name]
N-Butyl-N-(2-{[1-(3,4-dichlorphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-2-phenylbutanamid [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: 690.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 371.2±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 153.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.86
ACD/LogD (pH 5.5): 6.36
ACD/BCF (pH 5.5): 39929.34
ACD/KOC (pH 5.5): 68420.61
ACD/LogD (pH 7.4): 6.36
ACD/BCF (pH 7.4): 39929.47
ACD/KOC (pH 7.4): 68420.84
Polar Surface Area: 67 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 41.5±7.0 dyne/cm
Molar Volume: 458.5±7.0 cm3

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