ChemSpider 2D Image | N-(2-{[2-(3,4-Dimethoxyphenyl)ethyl][(5-methyl-2-thienyl)methyl]amino}-2-oxoethyl)-N-(2-methoxyethyl)-1-adamantanecarboxamide | C32H44N2O5S

N-(2-{[2-(3,4-Dimethoxyphenyl)ethyl][(5-methyl-2-thienyl)methyl]amino}-2-oxoethyl)-N-(2-methoxyethyl)-1-adamantanecarboxamide

  • Molecular FormulaC32H44N2O5S
  • Average mass568.767 Da
  • Monoisotopic mass568.297119 Da
  • ChemSpider ID3122318

More details:

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

N-(2-{[2-(3,4-Dimethoxyphenyl)ethyl][(5-methyl-2-thienyl)methyl]amino}-2-oxoethyl)-N-(2-methoxyethyl)-1-adamantancarboxamid [German] [ACD/IUPAC Name]
N-(2-{[2-(3,4-Dimethoxyphenyl)ethyl][(5-methyl-2-thienyl)methyl]amino}-2-oxoethyl)-N-(2-methoxyethyl)-1-adamantanecarboxamide [ACD/IUPAC Name]
N-(2-{[2-(3,4-Diméthoxyphényl)éthyl][(5-méthyl-2-thiényl)méthyl]amino}-2-oxoéthyl)-N-(2-méthoxyéthyl)-1-adamantanecarboxamide [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-carboxamide, N-[2-[[2-(3,4-dimethoxyphenyl)ethyl][(5-methyl-2-thienyl)methyl]amino]-2-oxoethyl]-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: 711.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 383.8±32.9 °C
Index of Refraction: 1.583
Molar Refractivity: 158.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 5.23
ACD/BCF (pH 5.5): 5591.35
ACD/KOC (pH 5.5): 16751.89
ACD/LogD (pH 7.4): 5.23
ACD/BCF (pH 7.4): 5591.35
ACD/KOC (pH 7.4): 16751.91
Polar Surface Area: 97 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 474.2±3.0 cm3

Click to predict properties on the Chemicalize site


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