ChemSpider 2D Image | N-(2-Aminoethyl)-N~2~-[3-(1,1-dioxidotetrahydro-3-thiophenyl)propanoyl]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}valinamide | C19H35N3O6S

N-(2-Aminoethyl)-N2-[3-(1,1-dioxidotetrahydro-3-thiophenyl)propanoyl]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}valinamide

  • Molecular FormulaC19H35N3O6S
  • Average mass433.563 Da
  • Monoisotopic mass433.224670 Da
  • ChemSpider ID121700236

More details:

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

Carbamic acid, N-(2-aminoethyl)-N-[3-methyl-1-oxo-2-[[1-oxo-3-(tetrahydro-1,1-dioxido-3-thienyl)propyl]amino]butyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-(2-Aminoethyl)-N2-[3-(1,1-dioxidotetrahydro-3-thiophenyl)propanoyl]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}valinamid [German] [ACD/IUPAC Name]
N-(2-Aminoethyl)-N2-[3-(1,1-dioxidotetrahydro-3-thiophenyl)propanoyl]-N-{[(2-methyl-2-propanyl)oxy]carbonyl}valinamide [ACD/IUPAC Name]
N-(2-Aminoéthyl)-N2-[3-(1,1-dioxydotétrahydro-3-thiophényl)propanoyl]-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}valinamide [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: 685.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 368.3±27.3 °C
Index of Refraction: 1.513
Molar Refractivity: 110.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: -0.76
ACD/LogD (pH 5.5): -2.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.72
Polar Surface Area: 144 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 365.7±3.0 cm3

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