ChemSpider 2D Image | N-(2-Cyanoethyl)-N-methyl-3-{3-(2-methyl-2-propanyl)-5-[(1-naphthylcarbamoyl)amino]-1H-pyrazol-1-yl}benzamide | C29H30N6O2

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

  • Molecular FormulaC29H30N6O2
  • Average mass494.587 Da
  • Monoisotopic mass494.243011 Da
  • ChemSpider ID24808720

More details:

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

Benzamide, N-(2-cyanoethyl)-3-[3-(1,1-dimethylethyl)-5-[[(1-naphthalenylamino)carbonyl]amino]-1H-pyrazol-1-yl]-N-methyl- [ACD/Index Name]
N-(2-Cyanethyl)-N-methyl-3-{3-(2-methyl-2-propanyl)-5-[(1-naphthylcarbamoyl)amino]-1H-pyrazol-1-yl}benzamid [German] [ACD/IUPAC Name]
N-(2-Cyanoethyl)-N-methyl-3-{3-(2-methyl-2-propanyl)-5-[(1-naphthylcarbamoyl)amino]-1H-pyrazol-1-yl}benzamide [ACD/IUPAC Name]
N-(2-Cyanoéthyl)-N-méthyl-3-{3-(2-méthyl-2-propanyl)-5-[(1-naphtylcarbamoyl)amino]-1H-pyrazol-1-yl}benzamide [French] [ACD/IUPAC Name]
Kinome_2186

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

Density: 1.2±0.1 g/cm3
Boiling Point: 661.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 353.9±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 146.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 2359.39
ACD/KOC (pH 5.5): 9032.99
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2359.63
ACD/KOC (pH 7.4): 9033.91
Polar Surface Area: 103 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 413.7±7.0 cm3

Click to predict properties on the Chemicalize site


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