ChemSpider 2D Image | [4-(4-Fluorophenyl)-1-piperazinyl][5-(3-methoxyphenyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-yl]methanone | C22H23FN4O4S

[4-(4-Fluorophenyl)-1-piperazinyl][5-(3-methoxyphenyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-yl]methanone

  • Molecular FormulaC22H23FN4O4S
  • Average mass458.506 Da
  • Monoisotopic mass458.142395 Da
  • ChemSpider ID22217957

More details:

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

[4-(4-Fluorophenyl)-1-piperazinyl][5-(3-methoxyphenyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-yl]methanone [ACD/IUPAC Name]
[4-(4-Fluorophényl)-1-pipérazinyl][5-(3-méthoxyphényl)-2-méthyl-1,1-dioxydo-2H-1,2,6-thiadiazin-3-yl]méthanone [French] [ACD/IUPAC Name]
[4-(4-Fluorphenyl)-1-piperazinyl][5-(3-methoxyphenyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-yl]methanon [German] [ACD/IUPAC Name]
Methanone, [4-(4-fluorophenyl)-1-piperazinyl][5-(3-methoxyphenyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-yl]- [ACD/Index Name]
[4-(4-Fluoro-phenyl)-piperazin-1-yl]-[5-(3-methoxy-phenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1λ*6*-[1,2,6]thiadiazin-3-yl]-methanone
3-{[4-(4-fluorophenyl)piperazinyl]carbonyl}-5-(3-methoxyphenyl)-2-methyl-1,2,6-thiadiazine-1,1-dione

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

Density: 1.4±0.1 g/cm3
Boiling Point: 674.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 361.8±34.3 °C
Index of Refraction: 1.637
Molar Refractivity: 120.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.72
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 5.71
ACD/KOC (pH 5.5): 121.09
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.73
ACD/KOC (pH 7.4): 121.39
Polar Surface Area: 91 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 334.7±7.0 cm3

Click to predict properties on the Chemicalize site


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