ChemSpider 2D Image | N-[3-(Benzylsulfanyl)-1-{[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino}-1-oxo-2-propanyl]-4-butoxy-3-ethoxybenzamide | C35H47N3O4S

N-[3-(Benzylsulfanyl)-1-{[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino}-1-oxo-2-propanyl]-4-butoxy-3-ethoxybenzamide

  • Molecular FormulaC35H47N3O4S
  • Average mass605.830 Da
  • Monoisotopic mass605.328735 Da
  • ChemSpider ID121118103

More details:

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

Benzamide, 4-butoxy-N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-2-oxo-1-[[(phenylmethyl)thio]methyl]ethyl]-3-ethoxy- [ACD/Index Name]
N-[3-(Benzylsulfanyl)-1-{[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino}-1-oxo-2-propanyl]-4-butoxy-3-ethoxybenzamid [German] [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)-1-{[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino}-1-oxo-2-propanyl]-4-butoxy-3-ethoxybenzamide [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)-1-{[2-(diméthylamino)-2-(4-éthylphényl)éthyl]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: 752.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 409.0±32.9 °C
Index of Refraction: 1.571
Molar Refractivity: 178.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 8.29
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 204.55
ACD/KOC (pH 5.5): 373.75
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 9901.43
ACD/KOC (pH 7.4): 18091.39
Polar Surface Area: 105 Å2
Polarizability: 70.6±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 541.9±3.0 cm3

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