ChemSpider 2D Image | Ethyl 4-(N-{[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]acetyl}-4-fluorophenylalanyl)-1-piperazinecarboxylate | C29H31FN4O7

Ethyl 4-(N-{[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]acetyl}-4-fluorophenylalanyl)-1-piperazinecarboxylate

  • Molecular FormulaC29H31FN4O7
  • Average mass566.577 Da
  • Monoisotopic mass566.217651 Da
  • ChemSpider ID121721877

More details:

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

1-Piperazinecarboxylic acid, 4-[2-[[2-[2-(1,3-benzodioxol-5-yl)-5-methyl-4-oxazolyl]acetyl]amino]-3-(4-fluorophenyl)-1-oxopropyl]-, ethyl ester [ACD/Index Name]
4-(N-{2-[2-(1,3-Benzodioxol-5-yl)-5-méthyl-1,3-oxazol-4-yl]acétyl}-4-fluorophénylalanyl)-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(N-{[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]acetyl}-4-fluorophenylalanyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-(N-{[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]acetyl}-4-fluorphenylalanyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.588
Molar Refractivity: 142.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 138.46
ACD/KOC (pH 5.5): 1186.74
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 138.46
ACD/KOC (pH 7.4): 1186.76
Polar Surface Area: 123 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 424.1±3.0 cm3

Click to predict properties on the Chemicalize site


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