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Search term: KBTUAPKNAYVSRQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Ethyl 4-[({5-[(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]-1-piperazinecarboxylate | C17H22N6O6S

Ethyl 4-[({5-[(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]-1-piperazinecarboxylate

  • Molecular FormulaC17H22N6O6S
  • Average mass438.458 Da
  • Monoisotopic mass438.132141 Da
  • ChemSpider ID39250051

More details:

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

1-Piperazinecarboxylic acid, 4-[2-[[5-[(1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)methyl]-1,3,4-oxadiazol-2-yl]thio]acetyl]-, ethyl ester [ACD/Index Name]
4-[2-({5-[(6-Méthyl-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)méthyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acétyl]-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[({5-[(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[({5-[(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
ethyl 4-(2-((5-((6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)-1,3,4-oxadiazol-2-yl)thio)acetyl)piperazine-1-carboxylate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.633
Molar Refractivity: 104.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.83
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.05
ACD/LogD (pH 7.4): 0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.34
Polar Surface Area: 172 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 77.8±5.0 dyne/cm
Molar Volume: 294.0±5.0 cm3

Click to predict properties on the Chemicalize site


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