ChemSpider 2D Image | 5-(3-{3-[(2-Fluorophenoxy)methyl]-1-piperidinyl}-3-oxopropyl)-5-[4-(methylsulfanyl)benzyl]-2-pyrrolidinone | C27H33FN2O3S

5-(3-{3-[(2-Fluorophenoxy)methyl]-1-piperidinyl}-3-oxopropyl)-5-[4-(methylsulfanyl)benzyl]-2-pyrrolidinone

  • Molecular FormulaC27H33FN2O3S
  • Average mass484.626 Da
  • Monoisotopic mass484.219604 Da
  • ChemSpider ID22182765

More details:

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

2-Pyrrolidinone, 5-[3-[3-[(2-fluorophenoxy)methyl]-1-piperidinyl]-3-oxopropyl]-5-[[4-(methylthio)phenyl]methyl]- [ACD/Index Name]
5-(3-{3-[(2-Fluorophenoxy)methyl]-1-piperidinyl}-3-oxopropyl)-5-[4-(methylsulfanyl)benzyl]-2-pyrrolidinone [ACD/IUPAC Name]
5-(3-{3-[(2-Fluorophénoxy)méthyl]-1-pipéridinyl}-3-oxopropyl)-5-[4-(méthylsulfanyl)benzyl]-2-pyrrolidinone [French] [ACD/IUPAC Name]
5-(3-{3-[(2-Fluorphenoxy)methyl]-1-piperidinyl}-3-oxopropyl)-5-[4-(methylsulfanyl)benzyl]-2-pyrrolidinon [German] [ACD/IUPAC Name]
5-(3-{3-[(2-fluorophenoxy)methyl]-1-piperidinyl}-3-oxopropyl)-5-[4-(methylthio)benzyl]-2-pyrrolidinone
5-(3-{3-[(2-FLUOROPHENOXY)METHYL]PIPERIDIN-1-YL}-3-OXOPROPYL)-5-{[4-(METHYLSULFANYL)PHENYL]METHYL}PYRROLIDIN-2-ONE
5-{3-[3-(2-FLUOROPHENOXYMETHYL)PIPERIDIN-1-YL]-3-OXOPROPYL}-5-{[4-(METHYLSULFANYL)PHENYL]METHYL}PYRROLIDIN-2-ONE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 698.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 376.2±25.9 °C
Index of Refraction: 1.607
Molar Refractivity: 134.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 349.78
ACD/KOC (pH 5.5): 2303.84
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 349.78
ACD/KOC (pH 7.4): 2303.84
Polar Surface Area: 84 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 389.3±5.0 cm3

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