ChemSpider 2D Image | Ethyl 3-[(2,2-diethoxyethyl){2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}amino]-3-oxopropanoate | C21H36N2O6S

Ethyl 3-[(2,2-diethoxyethyl){2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}amino]-3-oxopropanoate

  • Molecular FormulaC21H36N2O6S
  • Average mass444.585 Da
  • Monoisotopic mass444.229401 Da
  • ChemSpider ID102747626

More details:

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

3-[(2,2-Diéthoxyéthyl){2-[({5-[(diméthylamino)méthyl]-2-furyl}méthyl)sulfanyl]éthyl}amino]-3-oxopropanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-[(2,2-diethoxyethyl){2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}amino]-3-oxopropanoate [ACD/IUPAC Name]
Ethyl-3-[(2,2-diethoxyethyl){2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}amino]-3-oxopropanoat [German] [ACD/IUPAC Name]
Propanoic acid, 3-[(2,2-diethoxyethyl)[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]amino]-3-oxo-, ethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 533.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 276.3±30.1 °C
Index of Refraction: 1.513
Molar Refractivity: 118.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.73
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 14.94
ACD/KOC (pH 7.4): 125.71
Polar Surface Area: 107 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 394.6±3.0 cm3

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