ChemSpider 2D Image | 2-[sec-Butyl(1,1-dioxidotetrahydro-3-thiophenyl)amino]-2-oxoethyl N-(2,2-dimethylpropanoyl)alaninate | C18H32N2O6S

2-[sec-Butyl(1,1-dioxidotetrahydro-3-thiophenyl)amino]-2-oxoethyl N-(2,2-dimethylpropanoyl)alaninate

  • Molecular FormulaC18H32N2O6S
  • Average mass404.522 Da
  • Monoisotopic mass404.198120 Da
  • ChemSpider ID22544613

More details:

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

2-[sec-Butyl(1,1-dioxidotetrahydro-3-thiophenyl)amino]-2-oxoethyl N-(2,2-dimethylpropanoyl)alaninate [ACD/IUPAC Name]
2-[sec-Butyl(1,1-dioxidotetrahydro-3-thiophenyl)amino]-2-oxoethyl-N-(2,2-dimethylpropanoyl)alaninat [German] [ACD/IUPAC Name]
Alanine, N-(2,2-dimethyl-1-oxopropyl)-, 2-[(1-methylpropyl)(tetrahydro-1,1-dioxido-3-thienyl)amino]-2-oxoethyl ester [ACD/Index Name]
N-(2,2-Diméthylpropanoyl)alaninate de 2-[sec-butyl(1,1-dioxydotétrahydro-3-thiophényl)amino]-2-oxoéthyle [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: 621.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 329.7±31.5 °C
Index of Refraction: 1.513
Molar Refractivity: 101.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.28
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.71
ACD/KOC (pH 5.5): 51.06
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.71
ACD/KOC (pH 7.4): 51.06
Polar Surface Area: 118 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 338.5±5.0 cm3

Click to predict properties on the Chemicalize site


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