ChemSpider 2D Image | mk-4409 | C22H17ClFN3O2S

mk-4409

  • Molecular FormulaC22H17ClFN3O2S
  • Average mass441.906 Da
  • Monoisotopic mass441.071411 Da
  • ChemSpider ID25069631

More details:






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

2-(5-{5-[(5-Chlor-2-pyridinyl)sulfanyl]-2-(4-fluorphenyl)-1,3-oxazol-4-yl}-2-pyridinyl)-2-propanol [German] [ACD/IUPAC Name]
2-(5-{5-[(5-Chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl}-2-pyridinyl)-2-propanol [ACD/IUPAC Name]
2-(5-{5-[(5-Chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophényl)-1,3-oxazol-4-yl}-2-pyridinyl)-2-propanol [French] [ACD/IUPAC Name]
2-Pyridinemethanol, 5-[5-[(5-chloro-2-pyridinyl)thio]-2-(4-fluorophenyl)-4-oxazolyl]-α,α-dimethyl- [ACD/Index Name]
mk-4409 [Wiki]
1207745-58-1 [RN]
2-(5-{5-[(5-chloropyridin-2-yl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl}pyridin-2-yl)propan-2-ol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 599.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 316.4±32.9 °C
Index of Refraction: 1.679
Molar Refractivity: 115.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 760.25
ACD/KOC (pH 5.5): 4015.53
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 760.53
ACD/KOC (pH 7.4): 4017.01
Polar Surface Area: 97 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 73.3±5.0 dyne/cm
Molar Volume: 304.9±5.0 cm3

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