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-(3-methoxypropyl)benzamide | C30H40N4O5

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

  • Molecular FormulaC30H40N4O5
  • Average mass536.662 Da
  • Monoisotopic mass536.299866 Da
  • ChemSpider ID3877526

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-(3-methoxypropyl)- [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-(3-methoxypropyl)benzamid [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-(3-methoxypropyl)benzamide [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-(3-méthoxypropyl)benzamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 737.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 399.5±32.9 °C
Index of Refraction: 1.557
Molar Refractivity: 152.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 3981.84
ACD/KOC (pH 5.5): 13137.79
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 3982.16
ACD/KOC (pH 7.4): 13138.85
Polar Surface Area: 95 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 38.8±7.0 dyne/cm
Molar Volume: 472.7±7.0 cm3

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