ChemSpider 2D Image | (2R)-1-{2-[4'-(Cyclopentylsulfonyl)-4-biphenylyl]ethyl}-2-methylpyrrolidine | C24H31NO2S

(2R)-1-{2-[4'-(Cyclopentylsulfonyl)-4-biphenylyl]ethyl}-2-methylpyrrolidine

  • Molecular FormulaC24H31NO2S
  • Average mass397.573 Da
  • Monoisotopic mass397.207550 Da
  • ChemSpider ID28491937

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-1-{2-[4'-(Cyclopentylsulfonyl)-4-biphenylyl]ethyl}-2-methylpyrrolidin [German] [ACD/IUPAC Name]
(2R)-1-{2-[4'-(Cyclopentylsulfonyl)-4-biphenylyl]ethyl}-2-methylpyrrolidine [ACD/IUPAC Name]
(2R)-1-{2-[4'-(Cyclopentylsulfonyl)-4-biphénylyl]éthyl}-2-méthylpyrrolidine [French] [ACD/IUPAC Name]
Pyrrolidine, 1-[2-[4'-(cyclopentylsulfonyl)[1,1'-biphenyl]-4-yl]ethyl]-2-methyl-, (2R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 561.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 293.2±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 115.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 1.65
ACD/KOC (pH 5.5): 6.59
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 4.69
ACD/KOC (pH 7.4): 18.76
Polar Surface Area: 46 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 349.9±3.0 cm3

Click to predict properties on the Chemicalize site


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