ChemSpider 2D Image | N-Cyclohexyl-N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(5-methyltetrahydro-2-thiophenyl)methyl]amino}-2-oxoethyl)-2-methoxybenzamide | C32H44N2O5S

N-Cyclohexyl-N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(5-methyltetrahydro-2-thiophenyl)methyl]amino}-2-oxoethyl)-2-methoxybenzamide

  • Molecular FormulaC32H44N2O5S
  • Average mass568.767 Da
  • Monoisotopic mass568.297119 Da
  • ChemSpider ID110241009

More details:

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

Benzamide, N-cyclohexyl-N-[2-[[2-(3,4-dimethoxyphenyl)ethyl][(tetrahydro-5-methyl-2-thienyl)methyl]amino]-2-oxoethyl]-2-methoxy- [ACD/Index Name]
N-Cyclohexyl-N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(5-methyltetrahydro-2-thiophenyl)methyl]amino}-2-oxoethyl)-2-methoxybenzamid [German] [ACD/IUPAC Name]
N-Cyclohexyl-N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(5-methyltetrahydro-2-thiophenyl)methyl]amino}-2-oxoethyl)-2-methoxybenzamide [ACD/IUPAC Name]
N-Cyclohexyl-N-(2-{[2-(3,4-diméthoxyphényl)éthyl][(5-méthyltétrahydro-2-thiophényl)méthyl]amino}-2-oxoéthyl)-2-méthoxybenzamide [French] [ACD/IUPAC 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: 735.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 398.7±32.9 °C
Index of Refraction: 1.593
Molar Refractivity: 161.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 2089.72
ACD/KOC (pH 5.5): 8281.61
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 2089.72
ACD/KOC (pH 7.4): 8281.62
Polar Surface Area: 94 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 475.9±5.0 cm3

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