ChemSpider 2D Image | Ethyl 4-{[6-(tetrahydro-2H-thiopyran-4-yl)-6-azaspiro[2.5]oct-1-yl]carbonyl}-1-piperazinecarboxylate | C20H33N3O3S

Ethyl 4-{[6-(tetrahydro-2H-thiopyran-4-yl)-6-azaspiro[2.5]oct-1-yl]carbonyl}-1-piperazinecarboxylate

  • Molecular FormulaC20H33N3O3S
  • Average mass395.559 Da
  • Monoisotopic mass395.224274 Da
  • ChemSpider ID22208309

More details:

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

1-Piperazinecarboxylic acid, 4-[[6-(tetrahydro-2H-thiopyran-4-yl)-6-azaspiro[2.5]oct-1-yl]carbonyl]-, ethyl ester [ACD/Index Name]
4-{[6-(Tétrahydro-2H-thiopyrane-4-yl)-6-azaspiro[2.5]oct-1-yl]carbonyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{[6-(tetrahydro-2H-thiopyran-4-yl)-6-azaspiro[2.5]oct-1-yl]carbonyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{[6-(tetrahydro-2H-thiopyran-4-yl)-6-azaspiro[2.5]oct-1-yl]carbonyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
ETHYL 4-[6-(THIAN-4-YL)-6-AZASPIRO[2.5]OCTANE-1-CARBONYL]PIPERAZINE-1-CARBOXYLATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 566.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 296.1±30.1 °C
Index of Refraction: 1.598
Molar Refractivity: 108.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.26
Polar Surface Area: 78 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 316.9±5.0 cm3

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