ChemSpider 2D Image | Nalpha-(4-Hexylbenzoyl)-N-[1-(2-methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]phenylalaninamide | C36H44N4O2

Nα-(4-Hexylbenzoyl)-N-[1-(2-methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]phenylalaninamide

  • Molecular FormulaC36H44N4O2
  • Average mass564.760 Da
  • Monoisotopic mass564.346436 Da
  • ChemSpider ID22590902

More details:

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

Benzenepropanamide, N-[3-(1,1-dimethylethyl)-1-(2-methylphenyl)-1H-pyrazol-5-yl]-α-[(4-hexylbenzoyl)amino]- [ACD/Index Name]
Nα-(4-Hexylbenzoyl)-N-[1-(2-methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]phenylalaninamid [German] [ACD/IUPAC Name]
Nα-(4-Hexylbenzoyl)-N-[1-(2-methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]phenylalaninamide [ACD/IUPAC Name]
Nα-(4-Hexylbenzoyl)-N-[1-(2-méthylphényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]phénylalaninamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 765.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 416.6±32.9 °C
Index of Refraction: 1.582
Molar Refractivity: 172.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 9.80
ACD/LogD (pH 5.5): 8.84
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1540374.63
ACD/LogD (pH 7.4): 8.84
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1540530.25
Polar Surface Area: 76 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 40.7±7.0 dyne/cm
Molar Volume: 517.6±7.0 cm3

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