ChemSpider 2D Image | N-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-4-[2-({[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]carbamoyl}amino)ethyl]piperazine-1-Carboxamide | C36H49N9O2

N-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-4-[2-({[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]carbamoyl}amino)ethyl]piperazine-1-Carboxamide

  • Molecular FormulaC36H49N9O2
  • Average mass639.833 Da
  • Monoisotopic mass639.400940 Da
  • ChemSpider ID35033450

More details:

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

1-Piperazinecarboxamide, N-[3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]-4-[2-[[[[3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]amino]carbonyl]amino]ethyl]- [ACD/Index Name]
N-[1-(4-Methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-4-[2-({[1-(4-methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]carbamoyl}amino)ethyl]-1-piperazincarboxamid [German] [ACD/IUPAC Name]
N-[1-(4-Methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-4-[2-({[1-(4-methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]carbamoyl}amino)ethyl]-1-piperazinecarboxamide [ACD/IUPAC Name]
N-[1-(4-Méthylphényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]-4-[2-({[1-(4-méthylphényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]carbamoyl}amino)éthyl]-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
N-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-4-[2-({[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]carbamoyl}amino)ethyl]piperazine-1-Carboxamide
0SS

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

Density: 1.2±0.1 g/cm3
Boiling Point: 779.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 425.1±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 188.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 7.43
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 1104.24
ACD/KOC (pH 5.5): 2296.25
ACD/LogD (pH 7.4): 5.88
ACD/BCF (pH 7.4): 16526.60
ACD/KOC (pH 7.4): 34366.98
Polar Surface Area: 112 Å2
Polarizability: 74.6±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 533.3±7.0 cm3

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