ChemSpider 2D Image | N-(1-Hydroxy-4-methyl-2-pentanyl)-3-{3-(2-methyl-2-propanyl)-5-[(1-naphthylcarbamoyl)amino]-1H-pyrazol-1-yl}benzamide | C31H37N5O3

N-(1-Hydroxy-4-methyl-2-pentanyl)-3-{3-(2-methyl-2-propanyl)-5-[(1-naphthylcarbamoyl)amino]-1H-pyrazol-1-yl}benzamide

  • Molecular FormulaC31H37N5O3
  • Average mass527.657 Da
  • Monoisotopic mass527.289612 Da
  • ChemSpider ID24808719

More details:

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

Benzamide, 3-[3-(1,1-dimethylethyl)-5-[[(1-naphthalenylamino)carbonyl]amino]-1H-pyrazol-1-yl]-N-[1-(hydroxymethyl)-3-methylbutyl]- [ACD/Index Name]
N-(1-Hydroxy-4-methyl-2-pentanyl)-3-{3-(2-methyl-2-propanyl)-5-[(1-naphthylcarbamoyl)amino]-1H-pyrazol-1-yl}benzamid [German] [ACD/IUPAC Name]
N-(1-Hydroxy-4-methyl-2-pentanyl)-3-{3-(2-methyl-2-propanyl)-5-[(1-naphthylcarbamoyl)amino]-1H-pyrazol-1-yl}benzamide [ACD/IUPAC Name]
N-(1-Hydroxy-4-méthyl-2-pentanyl)-3-{3-(2-méthyl-2-propanyl)-5-[(1-naphtylcarbamoyl)amino]-1H-pyrazol-1-yl}benzamide [French] [ACD/IUPAC Name]
Kinome_2188

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

Density: 1.2±0.1 g/cm3
Boiling Point: 659.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 352.8±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 153.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9808.63
ACD/KOC (pH 5.5): 25047.95
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 9809.28
ACD/KOC (pH 7.4): 25049.63
Polar Surface Area: 108 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 45.3±7.0 dyne/cm
Molar Volume: 439.3±7.0 cm3

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