ChemSpider 2D Image | N-({4'-[(Dimethylamino)methyl]-2-biphenylyl}methyl)-3-(1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)propanamide | C28H38N4O

N-({4'-[(Dimethylamino)methyl]-2-biphenylyl}methyl)-3-(1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)propanamide

  • Molecular FormulaC28H38N4O
  • Average mass446.628 Da
  • Monoisotopic mass446.304565 Da
  • ChemSpider ID22411341

More details:






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

1H-Pyrazole-4-propanamide, N-[[4'-[(dimethylamino)methyl][1,1'-biphenyl]-2-yl]methyl]-3,5-dimethyl-1-(2-methylpropyl)- [ACD/Index Name]
N-({4'-[(Dimethylamino)methyl]-2-biphenylyl}methyl)-3-(1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)propanamid [German] [ACD/IUPAC Name]
N-({4'-[(Dimethylamino)methyl]-2-biphenylyl}methyl)-3-(1-isobutyl-3,5-dimethyl-1H-pyrazol-4-yl)propanamide [ACD/IUPAC Name]
N-({4'-[(Diméthylamino)méthyl]-2-biphénylyl}méthyl)-3-(1-isobutyl-3,5-diméthyl-1H-pyrazol-4-yl)propanamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 640.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 341.3±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 137.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 6.73
ACD/KOC (pH 5.5): 20.87
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 220.57
ACD/KOC (pH 7.4): 684.28
Polar Surface Area: 50 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 37.3±7.0 dyne/cm
Molar Volume: 420.5±7.0 cm3

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