ChemSpider 2D Image | N-{[4-(2-Hydroxyethoxy)tetrahydro-2H-thiopyran-4-yl]methyl}-2,3,4-trimethoxybenzamide | C18H27NO6S

N-{[4-(2-Hydroxyethoxy)tetrahydro-2H-thiopyran-4-yl]methyl}-2,3,4-trimethoxybenzamide

  • Molecular FormulaC18H27NO6S
  • Average mass385.475 Da
  • Monoisotopic mass385.155914 Da
  • ChemSpider ID64962143

More details:

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

Benzamide, 2,3,4-trimethoxy-N-[[tetrahydro-4-(2-hydroxyethoxy)-2H-thiopyran-4-yl]methyl]- [ACD/Index Name]
N-{[4-(2-Hydroxyethoxy)tetrahydro-2H-thiopyran-4-yl]methyl}-2,3,4-trimethoxybenzamid [German] [ACD/IUPAC Name]
N-{[4-(2-Hydroxyethoxy)tetrahydro-2H-thiopyran-4-yl]methyl}-2,3,4-trimethoxybenzamide [ACD/IUPAC Name]
N-{[4-(2-Hydroxyéthoxy)tétrahydro-2H-thiopyrane-4-yl]méthyl}-2,3,4-triméthoxybenzamide [French] [ACD/IUPAC Name]
2210054-90-1 [RN]
N-{[4-(2-hydroxyethoxy)thian-4-yl]methyl}-2,3,4-trimethoxybenzamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 534.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 276.9±30.1 °C
Index of Refraction: 1.568
Molar Refractivity: 100.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.48
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 5.93
ACD/KOC (pH 5.5): 124.51
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.93
ACD/KOC (pH 7.4): 124.51
Polar Surface Area: 112 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 307.3±5.0 cm3

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