ChemSpider 2D Image | [3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]{4-[(4,6-difluoro-1,3-benzothiazol-2-yl)oxy]-1-piperidinyl}methanone | C23H18ClF2N3O3S

[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]{4-[(4,6-difluoro-1,3-benzothiazol-2-yl)oxy]-1-piperidinyl}methanone

  • Molecular FormulaC23H18ClF2N3O3S
  • Average mass489.922 Da
  • Monoisotopic mass489.072540 Da
  • ChemSpider ID39288796

More details:






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

[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]{4-[(4,6-difluoro-1,3-benzothiazol-2-yl)oxy]-1-piperidinyl}methanone [ACD/IUPAC Name]
[3-(2-Chlorophényl)-5-méthyl-1,2-oxazol-4-yl]{4-[(4,6-difluoro-1,3-benzothiazol-2-yl)oxy]-1-pipéridinyl}méthanone [French] [ACD/IUPAC Name]
[3-(2-Chlorphenyl)-5-methyl-1,2-oxazol-4-yl]{4-[(4,6-difluor-1,3-benzothiazol-2-yl)oxy]-1-piperidinyl}methanon [German] [ACD/IUPAC Name]
Methanone, [3-(2-chlorophenyl)-5-methyl-4-isoxazolyl][4-[(4,6-difluoro-2-benzothiazolyl)oxy]-1-piperidinyl]- [ACD/Index Name]
(3-(2-chlorophenyl)-5-methylisoxazol-4-yl)(4-((4,6-difluorobenzo[d]thiazol-2-yl)oxy)piperidin-1-yl)methanone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 652.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 348.7±34.3 °C
Index of Refraction: 1.637
Molar Refractivity: 121.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 728.67
ACD/KOC (pH 5.5): 3895.85
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 728.68
ACD/KOC (pH 7.4): 3895.87
Polar Surface Area: 97 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 338.8±3.0 cm3

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