ChemSpider 2D Image | N~2~-(3-{3-(2-Methyl-2-propanyl)-5-[(1-naphthylcarbamoyl)amino]-1H-pyrazol-1-yl}benzoyl)leucinamide | C31H36N6O3

N2-(3-{3-(2-Methyl-2-propanyl)-5-[(1-naphthylcarbamoyl)amino]-1H-pyrazol-1-yl}benzoyl)leucinamide

  • Molecular FormulaC31H36N6O3
  • Average mass540.656 Da
  • Monoisotopic mass540.284912 Da
  • ChemSpider ID24808724

More details:

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

Benzamide, N-[1-(aminocarbonyl)-3-methylbutyl]-3-[3-(1,1-dimethylethyl)-5-[[(1-naphthalenylamino)carbonyl]amino]-1H-pyrazol-1-yl]- [ACD/Index Name]
N2-(3-{3-(2-Methyl-2-propanyl)-5-[(1-naphthylcarbamoyl)amino]-1H-pyrazol-1-yl}benzoyl)leucinamid [German] [ACD/IUPAC Name]
N2-(3-{3-(2-Methyl-2-propanyl)-5-[(1-naphthylcarbamoyl)amino]-1H-pyrazol-1-yl}benzoyl)leucinamide [ACD/IUPAC Name]
N2-(3-{3-(2-Méthyl-2-propanyl)-5-[(1-naphtylcarbamoyl)amino]-1H-pyrazol-1-yl}benzoyl)leucinamide [French] [ACD/IUPAC Name]
Kinome_2175

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

Density: 1.2±0.1 g/cm3
Boiling Point: 698.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 376.2±31.5 °C
Index of Refraction: 1.632
Molar Refractivity: 155.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 5.19
ACD/BCF (pH 5.5): 5191.04
ACD/KOC (pH 5.5): 15873.97
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 5191.37
ACD/KOC (pH 7.4): 15874.98
Polar Surface Area: 131 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 436.0±7.0 cm3

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