ChemSpider 2D Image | 1-[4-({1-[4-(Difluoromethoxy)phenyl]-5-methyl-1H-1,2,3-triazol-4-yl}carbonyl)-1-piperazinyl]-4-phenyl-1-butanone | C25H27F2N5O3

1-[4-({1-[4-(Difluoromethoxy)phenyl]-5-methyl-1H-1,2,3-triazol-4-yl}carbonyl)-1-piperazinyl]-4-phenyl-1-butanone

  • Molecular FormulaC25H27F2N5O3
  • Average mass483.510 Da
  • Monoisotopic mass483.208191 Da
  • ChemSpider ID31865210

More details:

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

1-[4-({1-[4-(Difluormethoxy)phenyl]-5-methyl-1H-1,2,3-triazol-4-yl}carbonyl)-1-piperazinyl]-4-phenyl-1-butanon [German] [ACD/IUPAC Name]
1-[4-({1-[4-(Difluoromethoxy)phenyl]-5-methyl-1H-1,2,3-triazol-4-yl}carbonyl)-1-piperazinyl]-4-phenyl-1-butanone [ACD/IUPAC Name]
1-[4-({1-[4-(Difluorométhoxy)phényl]-5-méthyl-1H-1,2,3-triazol-4-yl}carbonyl)-1-pipérazinyl]-4-phényl-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-[4-[[1-[4-(difluoromethoxy)phenyl]-5-methyl-1H-1,2,3-triazol-4-yl]carbonyl]-1-piperazinyl]-4-phenyl- [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: 694.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 374.0±34.3 °C
Index of Refraction: 1.613
Molar Refractivity: 128.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 76.87
ACD/KOC (pH 5.5): 778.81
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 76.87
ACD/KOC (pH 7.4): 778.81
Polar Surface Area: 81 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 368.3±7.0 cm3

Click to predict properties on the Chemicalize site


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