ChemSpider 2D Image | [4-(2-Chloro-6-fluorobenzyl)-1-piperazinyl][3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone | C17H20ClFN4OS

[4-(2-Chloro-6-fluorobenzyl)-1-piperazinyl][3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone

  • Molecular FormulaC17H20ClFN4OS
  • Average mass382.883 Da
  • Monoisotopic mass382.103027 Da
  • ChemSpider ID33744274

More details:

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

[4-(2-Chlor-6-fluorbenzyl)-1-piperazinyl][3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanon [German] [ACD/IUPAC Name]
[4-(2-Chloro-6-fluorobenzyl)-1-piperazinyl][3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone [ACD/IUPAC Name]
[4-(2-Chloro-6-fluorobenzyl)-1-pipérazinyl][3-méthyl-5-(méthylamino)-1,2-thiazol-4-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl][3-methyl-5-(methylamino)-4-isothiazolyl]- [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: 469.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 237.8±28.7 °C
Index of Refraction: 1.639
Molar Refractivity: 100.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.52
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 20.17
ACD/KOC (pH 7.4): 219.53
Polar Surface Area: 77 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 278.5±3.0 cm3

Click to predict properties on the Chemicalize site


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