ChemSpider 2D Image | 1-(1-Pyrrolidinyl)-3-(5-{5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazol-1-yl)-1-propanone | C22H19F3N6O2

1-(1-Pyrrolidinyl)-3-(5-{5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazol-1-yl)-1-propanone

  • Molecular FormulaC22H19F3N6O2
  • Average mass456.421 Da
  • Monoisotopic mass456.152161 Da
  • ChemSpider ID29116394

More details:






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

1-(1-Pyrrolidinyl)-3-(5-{5-[4-(trifluormethyl)phenyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazol-1-yl)-1-propanon [German] [ACD/IUPAC Name]
1-(1-Pyrrolidinyl)-3-(5-{5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazol-1-yl)-1-propanone [ACD/IUPAC Name]
1-(1-Pyrrolidinyl)-3-(5-{5-[4-(trifluorométhyl)phényl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazol-1-yl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-(1-pyrrolidinyl)-3-[5-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl]- [ACD/Index Name]
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-[(4-methylphenyl)amino]-1,3-thiazole-5-carboxamide [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 656.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 350.8±34.3 °C
Index of Refraction: 1.677
Molar Refractivity: 113.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 670.45
ACD/KOC (pH 5.5): 3670.40
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 670.45
ACD/KOC (pH 7.4): 3670.40
Polar Surface Area: 90 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 302.1±7.0 cm3

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