ChemSpider 2D Image | N-(4-Fluorobenzyl)-2-{[(4-fluorobenzyl)(4-methylbenzyl)amino]methyl}-1,3-thiazole-4-carboxamide | C27H25F2N3OS

N-(4-Fluorobenzyl)-2-{[(4-fluorobenzyl)(4-methylbenzyl)amino]methyl}-1,3-thiazole-4-carboxamide

  • Molecular FormulaC27H25F2N3OS
  • Average mass477.569 Da
  • Monoisotopic mass477.168640 Da
  • ChemSpider ID22589556

More details:

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

4-Thiazolecarboxamide, N-[(4-fluorophenyl)methyl]-2-[[[(4-fluorophenyl)methyl][(4-methylphenyl)methyl]amino]methyl]- [ACD/Index Name]
N-(4-Fluorbenzyl)-2-{[(4-fluorbenzyl)(4-methylbenzyl)amino]methyl}-1,3-thiazol-4-carboxamid [German] [ACD/IUPAC Name]
N-(4-Fluorobenzyl)-2-{[(4-fluorobenzyl)(4-methylbenzyl)amino]methyl}-1,3-thiazole-4-carboxamide [ACD/IUPAC Name]
N-(4-Fluorobenzyl)-2-{[(4-fluorobenzyl)(4-méthylbenzyl)amino]méthyl}-1,3-thiazole-4-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 641.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 341.8±31.5 °C
Index of Refraction: 1.623
Molar Refractivity: 132.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.50
ACD/LogD (pH 5.5): 5.37
ACD/BCF (pH 5.5): 6542.43
ACD/KOC (pH 5.5): 17064.96
ACD/LogD (pH 7.4): 5.51
ACD/BCF (pH 7.4): 9060.04
ACD/KOC (pH 7.4): 23631.76
Polar Surface Area: 73 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 375.9±3.0 cm3

Click to predict properties on the Chemicalize site


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