ChemSpider 2D Image | Ethyl N-(cyclopropylmethyl)-N-({5-[(2-methyl-2-propanyl)sulfamoyl]tetrahydro-2-furanyl}carbonyl)-beta-alaninate | C18H32N2O6S

Ethyl N-(cyclopropylmethyl)-N-({5-[(2-methyl-2-propanyl)sulfamoyl]tetrahydro-2-furanyl}carbonyl)-β-alaninate

  • Molecular FormulaC18H32N2O6S
  • Average mass404.522 Da
  • Monoisotopic mass404.198120 Da
  • ChemSpider ID110287396

More details:

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

Ethyl N-(cyclopropylmethyl)-N-({5-[(2-methyl-2-propanyl)sulfamoyl]tetrahydro-2-furanyl}carbonyl)-β-alaninate [ACD/IUPAC Name]
Ethyl-N-(cyclopropylmethyl)-N-({5-[(2-methyl-2-propanyl)sulfamoyl]tetrahydro-2-furanyl}carbonyl)-β-alaninat [German] [ACD/IUPAC Name]
N-(Cyclopropylméthyl)-N-({5-[(2-méthyl-2-propanyl)sulfamoyl]tétrahydro-2-furanyl}carbonyl)-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-(cyclopropylmethyl)-N-[[5-[[(1,1-dimethylethyl)amino]sulfonyl]tetrahydro-2-furanyl]carbonyl]-, ethyl ester [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: 557.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 291.1±32.9 °C
Index of Refraction: 1.528
Molar Refractivity: 101.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 0.56
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 2.97
ACD/KOC (pH 5.5): 75.89
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 2.97
ACD/KOC (pH 7.4): 75.86
Polar Surface Area: 110 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 328.9±5.0 cm3

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