ChemSpider 2D Image | Methyl 3-({4-[4-({[(1R)-1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]benzyl}sulfanyl)propanoate | C24H25ClN2O5S

Methyl 3-({4-[4-({[(1R)-1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]benzyl}sulfanyl)propanoate

  • Molecular FormulaC24H25ClN2O5S
  • Average mass488.984 Da
  • Monoisotopic mass488.117279 Da
  • ChemSpider ID35519898

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-({4-[4-({[(1R)-1-(2-Chlorophényl)éthoxy]carbonyl}amino)-3-méthyl-1,2-oxazol-5-yl]benzyl}sulfanyl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-({4-[4-({[(1R)-1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]benzyl}sulfanyl)propanoate [ACD/IUPAC Name]
Methyl-3-({4-[4-({[(1R)-1-(2-chlorphenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]benzyl}sulfanyl)propanoat [German] [ACD/IUPAC Name]
Propanoic acid, 3-[[[4-[4-[[[(1R)-1-(2-chlorophenyl)ethoxy]carbonyl]amino]-3-methyl-5-isoxazolyl]phenyl]methyl]thio]-, methyl ester [ACD/Index Name]
355025-13-7 [RN]
Ki16198

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

Density: 1.3±0.1 g/cm3
Boiling Point: 594.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 313.2±30.1 °C
Index of Refraction: 1.604
Molar Refractivity: 129.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4196.08
ACD/KOC (pH 5.5): 13640.33
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4195.92
ACD/KOC (pH 7.4): 13639.83
Polar Surface Area: 116 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 376.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement