ChemSpider 2D Image | N-(4-Fluorobenzyl)-3-{1-[4-(methylsulfanyl)benzoyl]-4-piperidinyl}propanamide | C23H27FN2O2S

N-(4-Fluorobenzyl)-3-{1-[4-(methylsulfanyl)benzoyl]-4-piperidinyl}propanamide

  • Molecular FormulaC23H27FN2O2S
  • Average mass414.536 Da
  • Monoisotopic mass414.177734 Da
  • ChemSpider ID26395953

More details:

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

4-Piperidinepropanamide, N-[(4-fluorophenyl)methyl]-1-[4-(methylthio)benzoyl]- [ACD/Index Name]
N-(4-Fluorbenzyl)-3-{1-[4-(methylsulfanyl)benzoyl]-4-piperidinyl}propanamid [German] [ACD/IUPAC Name]
N-(4-Fluorobenzyl)-3-{1-[4-(methylsulfanyl)benzoyl]-4-piperidinyl}propanamide [ACD/IUPAC Name]
N-(4-Fluorobenzyl)-3-{1-[4-(méthylsulfanyl)benzoyl]-4-pipéridinyl}propanamide [French] [ACD/IUPAC Name]
N-(4-fluorobenzyl)-3-{1-[4-(methylthio)benzoyl]-4-piperidinyl}propanamide
N-[(4-FLUOROPHENYL)METHYL]-3-{1-[4-(METHYLSULFANYL)BENZOYL]PIPERIDIN-4-YL}PROPANAMIDE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 645.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 344.2±28.7 °C
Index of Refraction: 1.606
Molar Refractivity: 116.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 218.14
ACD/KOC (pH 5.5): 1643.14
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 218.14
ACD/KOC (pH 7.4): 1643.14
Polar Surface Area: 75 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 337.2±5.0 cm3

Click to predict properties on the Chemicalize site


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