ChemSpider 2D Image | {3-Fluoro-2-[4-(3-fluorobenzyl)-1-piperazinyl]phenyl}(1,3-thiazol-2-yl)methanol | C21H21F2N3OS

{3-Fluoro-2-[4-(3-fluorobenzyl)-1-piperazinyl]phenyl}(1,3-thiazol-2-yl)methanol

  • Molecular FormulaC21H21F2N3OS
  • Average mass401.473 Da
  • Monoisotopic mass401.137329 Da
  • ChemSpider ID24983768

More details:

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

{3-Fluor-2-[4-(3-fluorbenzyl)-1-piperazinyl]phenyl}(1,3-thiazol-2-yl)methanol [German] [ACD/IUPAC Name]
{3-Fluoro-2-[4-(3-fluorobenzyl)-1-piperazinyl]phenyl}(1,3-thiazol-2-yl)methanol [ACD/IUPAC Name]
{3-Fluoro-2-[4-(3-fluorobenzyl)-1-pipérazinyl]phényl}(1,3-thiazol-2-yl)méthanol [French] [ACD/IUPAC Name]
2-Thiazolemethanol, α-[3-fluoro-2-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]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: 532.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 275.6±30.1 °C
Index of Refraction: 1.629
Molar Refractivity: 106.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 39.43
ACD/KOC (pH 5.5): 350.87
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 118.24
ACD/KOC (pH 7.4): 1052.18
Polar Surface Area: 68 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 299.8±3.0 cm3

Click to predict properties on the Chemicalize site


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