ChemSpider 2D Image | Ethyl 4-[(3-ethyl-7-oxo-1,2,3,3a,7,7a-hexahydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl)acetyl]-1-piperazinecarboxylate | C15H25N7O4

Ethyl 4-[(3-ethyl-7-oxo-1,2,3,3a,7,7a-hexahydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl)acetyl]-1-piperazinecarboxylate

  • Molecular FormulaC15H25N7O4
  • Average mass367.404 Da
  • Monoisotopic mass367.196808 Da
  • ChemSpider ID109807061

More details:

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

1-Piperazinecarboxylic acid, 4-[2-(3-ethyl-1,2,3,3a,7,7a-hexahydro-7-oxo-6H-1,2,3-triazolo[4,5-d]pyrimidin-6-yl)acetyl]-, ethyl ester [ACD/Index Name]
4-[2-(3-Éthyl-7-oxo-1,2,3,3a,7,7a-hexahydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl)acétyl]-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[(3-ethyl-7-oxo-1,2,3,3a,7,7a-hexahydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl)acetyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[(3-ethyl-7-oxo-1,2,3,3a,7,7a-hexahydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl)acetyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 561.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 293.2±32.9 °C
Index of Refraction: 1.689
Molar Refractivity: 92.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.30
ACD/LogD (pH 5.5): -1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.30
ACD/LogD (pH 7.4): -1.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.66
Polar Surface Area: 110 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 64.2±7.0 dyne/cm
Molar Volume: 242.4±7.0 cm3

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