ChemSpider 2D Image | Ethyl 4-[(4-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethoxy}-1,2,5-oxadiazol-3-yl)carbonyl]-1-piperazinecarboxylate | C15H19N7O6S

Ethyl 4-[(4-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethoxy}-1,2,5-oxadiazol-3-yl)carbonyl]-1-piperazinecarboxylate

  • Molecular FormulaC15H19N7O6S
  • Average mass425.420 Da
  • Monoisotopic mass425.111755 Da
  • ChemSpider ID125086271

More details:

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

1-Piperazinecarboxylic acid, 4-[[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethoxy]-1,2,5-oxadiazol-3-yl]carbonyl]-, ethyl ester [ACD/Index Name]
4-[(4-{2-[(5-Méthyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoéthoxy}-1,2,5-oxadiazol-3-yl)carbonyl]-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[(4-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethoxy}-1,2,5-oxadiazol-3-yl)carbonyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[(4-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethoxy}-1,2,5-oxadiazol-3-yl)carbonyl]-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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.619
Molar Refractivity: 99.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.44
ACD/LogD (pH 5.5): -0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.13
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.72
Polar Surface Area: 181 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 79.7±3.0 dyne/cm
Molar Volume: 282.6±3.0 cm3

Click to predict properties on the Chemicalize site


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