ChemSpider 2D Image | Ethyl 4-[3-(5-oxo-4-pentyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanoyl]-1-piperazinecarboxylate | C22H30N6O4S

Ethyl 4-[3-(5-oxo-4-pentyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanoyl]-1-piperazinecarboxylate

  • Molecular FormulaC22H30N6O4S
  • Average mass474.576 Da
  • Monoisotopic mass474.204926 Da
  • ChemSpider ID28987187

More details:

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

1-Piperazinecarboxylic acid, 4-[3-(4,5-dihydro-5-oxo-4-pentylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-1-oxopropyl]-, ethyl ester [ACD/Index Name]
4-[3-(5-Oxo-4-pentyl-4,5-dihydrothiéno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanoyl]-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[3-(5-oxo-4-pentyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanoyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[3-(5-oxo-4-pentyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanoyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
1223911-03-2 [RN]
ethyl 4-(3-(5-oxo-4-pentyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanoyl)piperazine-1-carboxylate
ethyl 4-(3-{7-oxo-8-pentyl-5-thia-1,8,10,11-tetraazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-12-yl}propanoyl)piperazine-1-carboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 724.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 392.1±35.7 °C
Index of Refraction: 1.680
Molar Refractivity: 127.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 170.91
ACD/KOC (pH 5.5): 1379.28
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 171.15
ACD/KOC (pH 7.4): 1381.18
Polar Surface Area: 129 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 336.0±7.0 cm3

Click to predict properties on the Chemicalize site


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