ChemSpider 2D Image | Ethyl (2Z)-2-[4-(1-{[(benzyloxy)carbonyl]amino}cyclopropyl)-2,3,5-trifluorobenzoyl]-3-{[(2S)-1-hydroxy-2-propanyl]amino}acrylate | C26H27F3N2O6

Ethyl (2Z)-2-[4-(1-{[(benzyloxy)carbonyl]amino}cyclopropyl)-2,3,5-trifluorobenzoyl]-3-{[(2S)-1-hydroxy-2-propanyl]amino}acrylate

  • Molecular FormulaC26H27F3N2O6
  • Average mass520.498 Da
  • Monoisotopic mass520.182129 Da
  • ChemSpider ID8499847

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2Z)-2-[4-(1-{[(Benzyloxy)carbonyl]amino}cyclopropyl)-2,3,5-trifluorobenzoyl]-3-{[(2S)-1-hydroxy-2-propanyl]amino}acrylate d'éthyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 2,3,5-trifluoro-α-[[[(1S)-2-hydroxy-1-methylethyl]amino]methylene]-β-oxo-4-[1-[[(phenylmethoxy)carbonyl]amino]cyclopropyl]-, ethyl ester, (αZ)- [ACD/Index Name]
Ethyl (2Z)-2-[4-(1-{[(benzyloxy)carbonyl]amino}cyclopropyl)-2,3,5-trifluorobenzoyl]-3-{[(2S)-1-hydroxy-2-propanyl]amino}acrylate [ACD/IUPAC Name]
Ethyl-(2Z)-2-[4-(1-{[(benzyloxy)carbonyl]amino}cyclopropyl)-2,3,5-trifluorbenzoyl]-3-{[(2S)-1-hydroxy-2-propanyl]amino}acrylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 677.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 363.2±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 126.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 175.75
ACD/KOC (pH 5.5): 1407.65
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 175.51
ACD/KOC (pH 7.4): 1405.75
Polar Surface Area: 114 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 381.4±5.0 cm3

Click to predict properties on the Chemicalize site


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