ChemSpider 2D Image | 5-(1-Azepanylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-N-methylbenzamide | C25H34N2O6S

5-(1-Azepanylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-N-methylbenzamide

  • Molecular FormulaC25H34N2O6S
  • Average mass490.612 Da
  • Monoisotopic mass490.213745 Da
  • ChemSpider ID22446214

More details:

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

5-(1-Azepanylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-N-methylbenzamid [German] [ACD/IUPAC Name]
5-(1-Azepanylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-N-methylbenzamide [ACD/IUPAC Name]
5-(1-Azépanylsulfonyl)-N-[2-(3,4-diméthoxyphényl)éthyl]-2-méthoxy-N-méthylbenzamide [French] [ACD/IUPAC Name]
Benzamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(hexahydro-1H-azepin-1-yl)sulfonyl]-2-methoxy-N-methyl- [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: 676.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 363.0±34.3 °C
Index of Refraction: 1.560
Molar Refractivity: 131.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 290.64
ACD/KOC (pH 5.5): 2017.77
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 290.64
ACD/KOC (pH 7.4): 2017.77
Polar Surface Area: 94 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 407.0±3.0 cm3

Click to predict properties on the Chemicalize site


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