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

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

  • Molecular FormulaC27H25F2N3OS
  • Average mass477.569 Da
  • Monoisotopic mass477.168640 Da
  • ChemSpider ID22589493

More details:

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

2-{[Bis(4-fluorbenzyl)amino]methyl}-N-(3,4-dimethylphenyl)-1,3-thiazol-4-carboxamid [German] [ACD/IUPAC Name]
2-{[Bis(4-fluorobenzyl)amino]methyl}-N-(3,4-dimethylphenyl)-1,3-thiazole-4-carboxamide [ACD/IUPAC Name]
2-{[Bis(4-fluorobenzyl)amino]méthyl}-N-(3,4-diméthylphényl)-1,3-thiazole-4-carboxamide [French] [ACD/IUPAC Name]
4-Thiazolecarboxamide, 2-[[bis[(4-fluorophenyl)methyl]amino]methyl]-N-(3,4-dimethylphenyl)- [ACD/Index 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: 532.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 275.6±30.1 °C
Index of Refraction: 1.643
Molar Refractivity: 133.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.64
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 11130.74
ACD/KOC (pH 5.5): 26246.43
ACD/LogD (pH 7.4): 5.71
ACD/BCF (pH 7.4): 12954.75
ACD/KOC (pH 7.4): 30547.48
Polar Surface Area: 73 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 370.0±3.0 cm3

Click to predict properties on the Chemicalize site


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