ChemSpider 2D Image | N-[3-(Benzylsulfanyl)-1-{[3-hydroxy-4-(1-piperidinyl)butyl]amino}-1-oxo-2-propanyl]-4-butoxy-3-ethoxybenzamide | C32H47N3O5S

N-[3-(Benzylsulfanyl)-1-{[3-hydroxy-4-(1-piperidinyl)butyl]amino}-1-oxo-2-propanyl]-4-butoxy-3-ethoxybenzamide

  • Molecular FormulaC32H47N3O5S
  • Average mass585.798 Da
  • Monoisotopic mass585.323669 Da
  • ChemSpider ID121060957

More details:

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

Benzamide, 4-butoxy-3-ethoxy-N-[2-[[3-hydroxy-4-(1-piperidinyl)butyl]amino]-2-oxo-1-[[(phenylmethyl)thio]methyl]ethyl]- [ACD/Index Name]
N-[3-(Benzylsulfanyl)-1-{[3-hydroxy-4-(1-piperidinyl)butyl]amino}-1-oxo-2-propanyl]-4-butoxy-3-ethoxybenzamid [German] [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)-1-{[3-hydroxy-4-(1-piperidinyl)butyl]amino}-1-oxo-2-propanyl]-4-butoxy-3-ethoxybenzamide [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)-1-{[3-hydroxy-4-(1-pipéridinyl)butyl]amino}-1-oxo-2-propanyl]-4-butoxy-3-éthoxybenzamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 782.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.4±3.0 kJ/mol
Flash Point: 426.9±32.9 °C
Index of Refraction: 1.564
Molar Refractivity: 166.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 1.05
ACD/KOC (pH 5.5): 5.28
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 25.82
ACD/KOC (pH 7.4): 129.31
Polar Surface Area: 125 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 511.8±3.0 cm3

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