ChemSpider 2D Image | [2-Amino-4-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}methyl)-3-thienyl](4-chlorophenyl)methanone | C23H21ClF3N3OS

[2-Amino-4-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}methyl)-3-thienyl](4-chlorophenyl)methanone

  • Molecular FormulaC23H21ClF3N3OS
  • Average mass479.945 Da
  • Monoisotopic mass479.104584 Da
  • ChemSpider ID28488071

More details:

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

[2-Amino-4-({4-[3-(trifluormethyl)phenyl]-1-piperazinyl}methyl)-3-thienyl](4-chlorphenyl)methanon [German] [ACD/IUPAC Name]
[2-Amino-4-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}methyl)-3-thienyl](4-chlorophenyl)methanone [ACD/IUPAC Name]
[2-Amino-4-({4-[3-(trifluorométhyl)phényl]-1-pipérazinyl}méthyl)-3-thiényl](4-chlorophényl)méthanone [French] [ACD/IUPAC Name]
Methanone, [2-amino-4-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-3-thienyl](4-chlorophenyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 640.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 340.8±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 121.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3349.52
ACD/KOC (pH 5.5): 9572.36
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 6522.33
ACD/KOC (pH 7.4): 18639.73
Polar Surface Area: 78 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 346.4±3.0 cm3

Click to predict properties on the Chemicalize site


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