ChemSpider 2D Image | N-(3-Bromobenzyl)-3-phenyl-1-{[3-(3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-1H-pyrazole-5-carboxamide | C26H22BrN5O2

N-(3-Bromobenzyl)-3-phenyl-1-{[3-(3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-1H-pyrazole-5-carboxamide

  • Molecular FormulaC26H22BrN5O2
  • Average mass516.389 Da
  • Monoisotopic mass515.095703 Da
  • ChemSpider ID25025607

More details:

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

1H-Pyrazole-5-carboxamide, N-[(3-bromophenyl)methyl]-1-[[4,5-dihydro-3-(3-pyridinyl)-5-isoxazolyl]methyl]-3-phenyl- [ACD/Index Name]
N-(3-Brombenzyl)-3-phenyl-1-{[3-(3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-1H-pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
N-(3-Bromobenzyl)-3-phenyl-1-{[3-(3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-1H-pyrazole-5-carboxamide [ACD/IUPAC Name]
N-(3-Bromobenzyl)-3-phényl-1-{[3-(3-pyridinyl)-4,5-dihydro-1,2-oxazol-5-yl]méthyl}-1H-pyrazole-5-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.692
Molar Refractivity: 135.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 231.62
ACD/KOC (pH 5.5): 1712.18
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 233.02
ACD/KOC (pH 7.4): 1722.60
Polar Surface Area: 81 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 354.1±7.0 cm3

Click to predict properties on the Chemicalize site


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