ChemSpider 2D Image | N-Methyl-N-({2-[3'-(trifluoromethoxy)-3-biphenylyl]-1,3-thiazol-4-yl}methyl)-1-pentanamine | C23H25F3N2OS

N-Methyl-N-({2-[3'-(trifluoromethoxy)-3-biphenylyl]-1,3-thiazol-4-yl}methyl)-1-pentanamine

  • Molecular FormulaC23H25F3N2OS
  • Average mass434.518 Da
  • Monoisotopic mass434.163971 Da
  • ChemSpider ID22739532

More details:






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

4-Thiazolemethanamine, N-methyl-N-pentyl-2-[3'-(trifluoromethoxy)[1,1'-biphenyl]-3-yl]- [ACD/Index Name]
N-Methyl-N-({2-[3'-(trifluormethoxy)-3-biphenylyl]-1,3-thiazol-4-yl}methyl)-1-pentanamin [German] [ACD/IUPAC Name]
N-Methyl-N-({2-[3'-(trifluoromethoxy)-3-biphenylyl]-1,3-thiazol-4-yl}methyl)-1-pentanamine [ACD/IUPAC Name]
N-Méthyl-N-({2-[3'-(trifluorométhoxy)-3-biphénylyl]-1,3-thiazol-4-yl}méthyl)-1-pentanamine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 494.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 252.8±31.5 °C
Index of Refraction: 1.544
Molar Refractivity: 115.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 7.68
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 1385.83
ACD/KOC (pH 5.5): 1714.82
ACD/LogD (pH 7.4): 6.67
ACD/BCF (pH 7.4): 56723.71
ACD/KOC (pH 7.4): 70189.48
Polar Surface Area: 54 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 365.7±3.0 cm3

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