ChemSpider 2D Image | N-[3-(Benzylsulfanyl)-1-oxo-1-{[(3E)-4-phenyl-3-buten-1-yl]amino}-2-propanyl]-4-butoxy-3-ethoxybenzamide | C33H40N2O4S

N-[3-(Benzylsulfanyl)-1-oxo-1-{[(3E)-4-phenyl-3-buten-1-yl]amino}-2-propanyl]-4-butoxy-3-ethoxybenzamide

  • Molecular FormulaC33H40N2O4S
  • Average mass560.747 Da
  • Monoisotopic mass560.270874 Da
  • ChemSpider ID121063707

  • Double-bond stereo - Double-bond stereo

More details:

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

Benzamide, 4-butoxy-3-ethoxy-N-[2-oxo-2-[[(3E)-4-phenyl-3-buten-1-yl]amino]-1-[[(phenylmethyl)thio]methyl]ethyl]- [ACD/Index Name]
N-[3-(Benzylsulfanyl)-1-oxo-1-{[(3E)-4-phenyl-3-buten-1-yl]amino}-2-propanyl]-4-butoxy-3-ethoxybenzamid [German] [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)-1-oxo-1-{[(3E)-4-phenyl-3-buten-1-yl]amino}-2-propanyl]-4-butoxy-3-ethoxybenzamide [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)-1-oxo-1-{[(3E)-4-phényl-3-butén-1-yl]amino}-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: 759.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 413.0±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 166.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 7.40
ACD/LogD (pH 5.5): 6.10
ACD/BCF (pH 5.5): 25574.51
ACD/KOC (pH 5.5): 49738.59
ACD/LogD (pH 7.4): 6.10
ACD/BCF (pH 7.4): 25574.23
ACD/KOC (pH 7.4): 49738.04
Polar Surface Area: 102 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 492.7±3.0 cm3

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