ChemSpider 2D Image | N-(3,5-Difluorobenzyl)-2-[4-(1-phenyl-1H-pyrazol-4-yl)-3,6-dihydro-1(2H)-pyridinyl]acetamide | C23H22F2N4O

N-(3,5-Difluorobenzyl)-2-[4-(1-phenyl-1H-pyrazol-4-yl)-3,6-dihydro-1(2H)-pyridinyl]acetamide

  • Molecular FormulaC23H22F2N4O
  • Average mass408.444 Da
  • Monoisotopic mass408.176178 Da
  • ChemSpider ID29042663

More details:

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

1(2H)-Pyridineacetamide, N-[(3,5-difluorophenyl)methyl]-3,6-dihydro-4-(1-phenyl-1H-pyrazol-4-yl)- [ACD/Index Name]
N-(3,5-Difluorbenzyl)-2-[4-(1-phenyl-1H-pyrazol-4-yl)-3,6-dihydro-1(2H)-pyridinyl]acetamid [German] [ACD/IUPAC Name]
N-(3,5-Difluorobenzyl)-2-[4-(1-phenyl-1H-pyrazol-4-yl)-3,6-dihydro-1(2H)-pyridinyl]acetamide [ACD/IUPAC Name]
N-(3,5-Difluorobenzyl)-2-[4-(1-phényl-1H-pyrazol-4-yl)-3,6-dihydro-1(2H)-pyridinyl]acétamide [French] [ACD/IUPAC Name]
N-(3,5-difluorobenzyl)-2-[4-(1-phenyl-1H-pyrazol-4-yl)-3,6-dihydropyridin-1(2H)-yl]acetamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 604.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 319.6±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 113.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 49.16
ACD/KOC (pH 5.5): 400.58
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 160.62
ACD/KOC (pH 7.4): 1308.86
Polar Surface Area: 50 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 45.3±7.0 dyne/cm
Molar Volume: 322.6±7.0 cm3

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