ChemSpider 2D Image | 2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(isobutyl)amino]-2-oxoethyl 1-(2,2-dimethylpropanoyl)-4-piperidinecarboxylate | C21H36N2O6S

2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(isobutyl)amino]-2-oxoethyl 1-(2,2-dimethylpropanoyl)-4-piperidinecarboxylate

  • Molecular FormulaC21H36N2O6S
  • Average mass444.585 Da
  • Monoisotopic mass444.229401 Da
  • ChemSpider ID32934817

More details:

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

1-(2,2-Diméthylpropanoyl)-4-pipéridinecarboxylate de 2-[(1,1-dioxydotétrahydro-3-thiophényl)(isobutyl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(isobutyl)amino]-2-oxoethyl 1-(2,2-dimethylpropanoyl)-4-piperidinecarboxylate [ACD/IUPAC Name]
2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(isobutyl)amino]-2-oxoethyl-1-(2,2-dimethylpropanoyl)-4-piperidincarboxylat [German] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-(2,2-dimethyl-1-oxopropyl)-, 2-[(2-methylpropyl)(tetrahydro-1,1-dioxido-3-thienyl)amino]-2-oxoethyl 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: 646.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.7±31.5 °C
Index of Refraction: 1.533
Molar Refractivity: 113.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 7.31
ACD/KOC (pH 5.5): 144.52
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 7.31
ACD/KOC (pH 7.4): 144.52
Polar Surface Area: 109 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 367.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement