ChemSpider 2D Image | N-(2-{[1-(2,4-Dimethylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-pentyl-1,3-benzodioxole-5-carboxamide | C30H38N4O4

N-(2-{[1-(2,4-Dimethylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-pentyl-1,3-benzodioxole-5-carboxamide

  • Molecular FormulaC30H38N4O4
  • Average mass518.647 Da
  • Monoisotopic mass518.289307 Da
  • ChemSpider ID3558382

More details:

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

1,3-Benzodioxole-5-carboxamide, N-[2-[[3-(1,1-dimethylethyl)-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino]-2-oxoethyl]-N-pentyl- [ACD/Index Name]
N-(2-{[1-(2,4-Dimethylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-pentyl-1,3-benzodioxol-5-carboxamid [German] [ACD/IUPAC Name]
N-(2-{[1-(2,4-Dimethylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)-N-pentyl-1,3-benzodioxole-5-carboxamide [ACD/IUPAC Name]
N-(2-{[1-(2,4-Diméthylphényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]amino}-2-oxoéthyl)-N-pentyl-1,3-benzodioxole-5-carboxamide [French] [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: 711.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 384.0±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 148.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 8521.97
ACD/KOC (pH 5.5): 22649.50
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 8522.74
ACD/KOC (pH 7.4): 22651.57
Polar Surface Area: 86 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 42.3±7.0 dyne/cm
Molar Volume: 439.5±7.0 cm3

Click to predict properties on the Chemicalize site


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