Found 160 results

Search term: MF = 'C_{25}H_{22}ClNO_{3}S'
ChemSpider 2D Image | Methyl (2R,3R)-1-(4-chlorophenyl)-3-[(4-methylphenyl)sulfanyl]-5-oxo-2-phenyl-3-pyrrolidinecarboxylate | C25H22ClNO3S

Methyl (2R,3R)-1-(4-chlorophenyl)-3-[(4-methylphenyl)sulfanyl]-5-oxo-2-phenyl-3-pyrrolidinecarboxylate

  • Molecular FormulaC25H22ClNO3S
  • Average mass451.965 Da
  • Monoisotopic mass451.100891 Da
  • ChemSpider ID29399818

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-1-(4-Chlorophényl)-3-[(4-méthylphényl)sulfanyl]-5-oxo-2-phényl-3-pyrrolidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 1-(4-chlorophenyl)-3-[(4-methylphenyl)thio]-5-oxo-2-phenyl-, methyl ester, (2R,3R)- [ACD/Index Name]
Methyl (2R,3R)-1-(4-chlorophenyl)-3-[(4-methylphenyl)sulfanyl]-5-oxo-2-phenyl-3-pyrrolidinecarboxylate [ACD/IUPAC Name]
Methyl-(2R,3R)-1-(4-chlorphenyl)-3-[(4-methylphenyl)sulfanyl]-5-oxo-2-phenyl-3-pyrrolidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 649.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 346.5±31.5 °C
Index of Refraction: 1.667
Molar Refractivity: 125.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.62
ACD/LogD (pH 5.5): 5.67
ACD/BCF (pH 5.5): 12070.54
ACD/KOC (pH 5.5): 29059.54
ACD/LogD (pH 7.4): 5.67
ACD/BCF (pH 7.4): 12070.54
ACD/KOC (pH 7.4): 29059.54
Polar Surface Area: 72 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 61.2±5.0 dyne/cm
Molar Volume: 336.6±5.0 cm3

Click to predict properties on the Chemicalize site


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