ChemSpider 2D Image | 2-[4-(Isopropylsulfanyl)phenyl]-1-[3-(4-methoxyphenyl)-1-pyrrolidinyl]ethanone | C22H27NO2S

2-[4-(Isopropylsulfanyl)phenyl]-1-[3-(4-methoxyphenyl)-1-pyrrolidinyl]ethanone

  • Molecular FormulaC22H27NO2S
  • Average mass369.520 Da
  • Monoisotopic mass369.176239 Da
  • ChemSpider ID30740510

More details:

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

2-[4-(Isopropylsulfanyl)phenyl]-1-[3-(4-methoxyphenyl)-1-pyrrolidinyl]ethanon [German] [ACD/IUPAC Name]
2-[4-(Isopropylsulfanyl)phenyl]-1-[3-(4-methoxyphenyl)-1-pyrrolidinyl]ethanone [ACD/IUPAC Name]
2-[4-(Isopropylsulfanyl)phényl]-1-[3-(4-méthoxyphényl)-1-pyrrolidinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[3-(4-methoxyphenyl)-1-pyrrolidinyl]-2-[4-[(1-methylethyl)thio]phenyl]- [ACD/Index Name]
1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-[4-(propan-2-ylsulfanyl)phenyl]ethan-1-one
1209100-34-4 [RN]
2-(4-(isopropylthio)phenyl)-1-(3-(4-methoxyphenyl)pyrrolidin-1-yl)ethanone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 551.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 287.5±30.1 °C
Index of Refraction: 1.603
Molar Refractivity: 109.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3788.10
ACD/KOC (pH 5.5): 12677.34
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 3788.10
ACD/KOC (pH 7.4): 12677.34
Polar Surface Area: 55 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 318.4±5.0 cm3

Click to predict properties on the Chemicalize site


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