ChemSpider 2D Image | N-(Cyanomethyl)-3-{3-(2-methyl-2-propanyl)-5-[(1-naphthylcarbamoyl)amino]-1H-pyrazol-1-yl}benzamide | C27H26N6O2

N-(Cyanomethyl)-3-{3-(2-methyl-2-propanyl)-5-[(1-naphthylcarbamoyl)amino]-1H-pyrazol-1-yl}benzamide

  • Molecular FormulaC27H26N6O2
  • Average mass466.534 Da
  • Monoisotopic mass466.211731 Da
  • ChemSpider ID24808725

More details:

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

Benzamide, N-(cyanomethyl)-3-[3-(1,1-dimethylethyl)-5-[[(1-naphthalenylamino)carbonyl]amino]-1H-pyrazol-1-yl]- [ACD/Index Name]
N-(Cyanmethyl)-3-{3-(2-methyl-2-propanyl)-5-[(1-naphthylcarbamoyl)amino]-1H-pyrazol-1-yl}benzamid [German] [ACD/IUPAC Name]
N-(Cyanomethyl)-3-{3-(2-methyl-2-propanyl)-5-[(1-naphthylcarbamoyl)amino]-1H-pyrazol-1-yl}benzamide [ACD/IUPAC Name]
N-(Cyanométhyl)-3-{3-(2-méthyl-2-propanyl)-5-[(1-naphtylcarbamoyl)amino]-1H-pyrazol-1-yl}benzamide [French] [ACD/IUPAC Name]
Kinome_2172

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

Density: 1.2±0.1 g/cm3
Boiling Point: 634.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 337.2±31.5 °C
Index of Refraction: 1.646
Molar Refractivity: 136.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1148.80
ACD/KOC (pH 5.5): 5396.50
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1148.75
ACD/KOC (pH 7.4): 5396.27
Polar Surface Area: 112 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 376.4±7.0 cm3

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