ChemSpider 2D Image | 3-[4-(Ethyl{[4-(methylsulfonyl)phenyl]acetyl}amino)-1-piperidinyl]-1-(4-fluorophenyl)propyl methyl carbonate | C27H35FN2O6S

3-[4-(Ethyl{[4-(methylsulfonyl)phenyl]acetyl}amino)-1-piperidinyl]-1-(4-fluorophenyl)propyl methyl carbonate

  • Molecular FormulaC27H35FN2O6S
  • Average mass534.640 Da
  • Monoisotopic mass534.219971 Da
  • ChemSpider ID8455693

More details:

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

3-[4-(Ethyl{[4-(methylsulfonyl)phenyl]acetyl}amino)-1-piperidinyl]-1-(4-fluorophenyl)propyl methyl carbonate [ACD/IUPAC Name]
3-[4-(Ethyl{[4-(methylsulfonyl)phenyl]acetyl}amino)-1-piperidinyl]-1-(4-fluorphenyl)propyl-methylcarbonat [German] [ACD/IUPAC Name]
Carbonate de 3-[4-(éthyl{2-[4-(méthylsulfonyl)phényl]acétyl}amino)-1-pipéridinyl]-1-(4-fluorophényl)propyle et de méthyle [French] [ACD/IUPAC Name]
Carbonic acid, 3-[4-[ethyl[2-[4-(methylsulfonyl)phenyl]acetyl]amino]-1-piperidinyl]-1-(4-fluorophenyl)propyl methyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 692.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 372.6±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 139.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.85
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 19.18
ACD/KOC (pH 7.4): 194.10
Polar Surface Area: 102 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 418.2±5.0 cm3

Click to predict properties on the Chemicalize site


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