ChemSpider 2D Image | 4-Butoxy-3-ethoxy-N-[1-{4-[3-(4-methoxyphenyl)propyl]-1-piperazinyl}-4-(methylsulfanyl)-1-oxo-2-butanyl]benzamide | C32H47N3O5S

4-Butoxy-3-ethoxy-N-[1-{4-[3-(4-methoxyphenyl)propyl]-1-piperazinyl}-4-(methylsulfanyl)-1-oxo-2-butanyl]benzamide

  • Molecular FormulaC32H47N3O5S
  • Average mass585.798 Da
  • Monoisotopic mass585.323669 Da
  • ChemSpider ID122269011

More details:

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

4-Butoxy-3-ethoxy-N-[1-{4-[3-(4-methoxyphenyl)propyl]-1-piperazinyl}-4-(methylsulfanyl)-1-oxo-2-butanyl]benzamid [German] [ACD/IUPAC Name]
4-Butoxy-3-ethoxy-N-[1-{4-[3-(4-methoxyphenyl)propyl]-1-piperazinyl}-4-(methylsulfanyl)-1-oxo-2-butanyl]benzamide [ACD/IUPAC Name]
4-Butoxy-3-éthoxy-N-[1-{4-[3-(4-méthoxyphényl)propyl]-1-pipérazinyl}-4-(méthylsulfanyl)-1-oxo-2-butanyl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-butoxy-3-ethoxy-N-[1-[[4-[3-(4-methoxyphenyl)propyl]-1-piperazinyl]carbonyl]-3-(methylthio)propyl]- [ACD/Index 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: 739.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 400.7±32.9 °C
Index of Refraction: 1.553
Molar Refractivity: 166.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 404.54
ACD/KOC (pH 5.5): 1410.26
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3010.15
ACD/KOC (pH 7.4): 10493.68
Polar Surface Area: 106 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 521.2±3.0 cm3

Click to predict properties on the Chemicalize site


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