ChemSpider 2D Image | 3-[(2R)-2-Cyclohexyl-5-oxo-1-pyrrolidinyl]-5-phenyl-2-thiophenecarboxylic acid | C21H23NO3S

3-[(2R)-2-Cyclohexyl-5-oxo-1-pyrrolidinyl]-5-phenyl-2-thiophenecarboxylic acid

  • Molecular FormulaC21H23NO3S
  • Average mass369.477 Da
  • Monoisotopic mass369.139862 Da
  • ChemSpider ID35035050

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Thiophenecarboxylic acid, 3-[(2R)-2-cyclohexyl-5-oxo-1-pyrrolidinyl]-5-phenyl- [ACD/Index Name]
3-[(2R)-2-Cyclohexyl-5-oxo-1-pyrrolidinyl]-5-phenyl-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
3-[(2R)-2-Cyclohexyl-5-oxo-1-pyrrolidinyl]-5-phenyl-2-thiophenecarboxylic acid [ACD/IUPAC Name]
3-[(2r)-2-Cyclohexyl-5-Oxopyrrolidin-1-Yl]-5-Phenylthiophene-2-Carboxylic Acid
Acide 3-[(2R)-2-cyclohexyl-5-oxo-1-pyrrolidinyl]-5-phényl-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
33J

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

Density: 1.3±0.1 g/cm3
Boiling Point: 636.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 338.6±31.5 °C
Index of Refraction: 1.628
Molar Refractivity: 102.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 41.14
ACD/KOC (pH 5.5): 147.83
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 2.59
ACD/KOC (pH 7.4): 9.30
Polar Surface Area: 86 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 287.9±3.0 cm3

Click to predict properties on the Chemicalize site


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