ChemSpider 2D Image | Propyl 6-[2-(benzyloxy)ethyl]-5-[(ethylsulfanyl)carbonyl]-2-phenyl-4-propylnicotinate | C30H35NO4S

Propyl 6-[2-(benzyloxy)ethyl]-5-[(ethylsulfanyl)carbonyl]-2-phenyl-4-propylnicotinate

  • Molecular FormulaC30H35NO4S
  • Average mass505.668 Da
  • Monoisotopic mass505.228668 Da
  • ChemSpider ID8068067

More details:






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

3-Pyridinecarboxylic acid, 5-[(ethylthio)carbonyl]-2-phenyl-6-[2-(phenylmethoxy)ethyl]-4-propyl-, propyl ester [ACD/Index Name]
6-[2-(Benzyloxy)éthyl]-5-[(éthylsulfanyl)carbonyl]-2-phényl-4-propylnicotinate de propyle [French] [ACD/IUPAC Name]
Propyl 6-[2-(benzyloxy)ethyl]-5-[(ethylsulfanyl)carbonyl]-2-phenyl-4-propylnicotinate [ACD/IUPAC Name]
propyl 6-[2-(benzyloxy)ethyl]-5-[(ethylsulfanyl)carbonyl]-2-phenyl-4-propylpyridine-3-carboxylate
Propyl-6-[2-(benzyloxy)ethyl]-5-[(ethylsulfanyl)carbonyl]-2-phenyl-4-propylnicotinat [German] [ACD/IUPAC Name]
6-(2-Benzyloxy-ethyl)-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-nicotinic acid propyl ester
CHEMBL163626

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 648.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 345.8±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 147.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 8.19
ACD/LogD (pH 5.5): 7.28
ACD/BCF (pH 5.5): 202343.13
ACD/KOC (pH 5.5): 218610.80
ACD/LogD (pH 7.4): 7.28
ACD/BCF (pH 7.4): 202346.91
ACD/KOC (pH 7.4): 218614.88
Polar Surface Area: 91 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 446.6±3.0 cm3

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