ChemSpider 2D Image | 3-{[1-(1,4-Dithiepan-6-yl)-4-piperidinyl]oxy}-N-(2-methoxyethyl)benzamide | C20H30N2O3S2

3-{[1-(1,4-Dithiepan-6-yl)-4-piperidinyl]oxy}-N-(2-methoxyethyl)benzamide

  • Molecular FormulaC20H30N2O3S2
  • Average mass410.594 Da
  • Monoisotopic mass410.169769 Da
  • ChemSpider ID23051640

More details:

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

3-{[1-(1,4-Dithiepan-6-yl)-4-piperidinyl]oxy}-N-(2-methoxyethyl)benzamid [German] [ACD/IUPAC Name]
3-{[1-(1,4-Dithiepan-6-yl)-4-piperidinyl]oxy}-N-(2-methoxyethyl)benzamide [ACD/IUPAC Name]
3-{[1-(1,4-Dithiépan-6-yl)-4-pipéridinyl]oxy}-N-(2-méthoxyéthyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-[[1-(1,4-dithiepan-6-yl)-4-piperidinyl]oxy]-N-(2-methoxyethyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 590.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 311.1±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 115.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.93
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 2.04
ACD/KOC (pH 5.5): 23.81
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 36.28
ACD/KOC (pH 7.4): 424.26
Polar Surface Area: 101 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 343.5±3.0 cm3

Click to predict properties on the Chemicalize site


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