ChemSpider 2D Image | Diethyl 5-{[({4-[2-(3-hydroxy-1-azetidinyl)-2-oxoethyl]-1,2,5-oxadiazol-3-yl}oxy)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate | C20H24N4O9S

Diethyl 5-{[({4-[2-(3-hydroxy-1-azetidinyl)-2-oxoethyl]-1,2,5-oxadiazol-3-yl}oxy)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate

  • Molecular FormulaC20H24N4O9S
  • Average mass496.491 Da
  • Monoisotopic mass496.126404 Da
  • ChemSpider ID125099508

More details:

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

2,4-Thiophenedicarboxylic acid, 5-[[2-[[4-[2-(3-hydroxy-1-azetidinyl)-2-oxoethyl]-1,2,5-oxadiazol-3-yl]oxy]acetyl]amino]-3-methyl-, diethyl ester [ACD/Index Name]
5-{[2-({4-[2-(3-Hydroxy-1-azétidinyl)-2-oxoéthyl]-1,2,5-oxadiazol-3-yl}oxy)acétyl]amino}-3-méthyl-2,4-thiophènedicarboxylate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 5-{[({4-[2-(3-hydroxy-1-azetidinyl)-2-oxoethyl]-1,2,5-oxadiazol-3-yl}oxy)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate [ACD/IUPAC Name]
Diethyl-5-{[({4-[2-(3-hydroxy-1-azetidinyl)-2-oxoethyl]-1,2,5-oxadiazol-3-yl}oxy)acetyl]amino}-3-methyl-2,4-thiophendicarboxylat [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: 1.617
Molar Refractivity: 117.7±0.3 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 7.03
ACD/KOC (pH 5.5): 140.64
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 7.03
ACD/KOC (pH 7.4): 140.60
Polar Surface Area: 199 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 73.4±3.0 dyne/cm
Molar Volume: 336.3±3.0 cm3

Click to predict properties on the Chemicalize site


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