ChemSpider 2D Image | 2-({(E)-[(3beta,17E)-3-Hydroxyandrosta-5,7-dien-17-ylidene]amino}oxy)-N-[3-(trifluoromethyl)phenyl]acetamide | C28H33F3N2O3

2-({(E)-[(3β,17E)-3-Hydroxyandrosta-5,7-dien-17-ylidene]amino}oxy)-N-[3-(trifluoromethyl)phenyl]acetamide

  • Molecular FormulaC28H33F3N2O3
  • Average mass502.568 Da
  • Monoisotopic mass502.244324 Da
  • ChemSpider ID76788954

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-({(E)-[(3β,17E)-3-Hydroxyandrosta-5,7-dien-17-yliden]amino}oxy)-N-[3-(trifluormethyl)phenyl]acetamid [German] [ACD/IUPAC Name]
2-({(E)-[(3β,17E)-3-Hydroxyandrosta-5,7-dien-17-ylidene]amino}oxy)-N-[3-(trifluoromethyl)phenyl]acetamide [ACD/IUPAC Name]
2-({(E)-[(3β,17E)-3-Hydroxyandrosta-5,7-dién-17-ylidène]amino}oxy)-N-[3-(trifluorométhyl)phényl]acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[[(3β,17E)-3-hydroxyandrosta-5,7-dien-17-ylidene]amino]oxy]-N-[3-(trifluoromethyl)phenyl]- [ACD/Index 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: 1.606
Molar Refractivity: 128.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.56
ACD/LogD (pH 5.5): 5.87
ACD/BCF (pH 5.5): 17138.96
ACD/KOC (pH 5.5): 37348.46
ACD/LogD (pH 7.4): 5.87
ACD/BCF (pH 7.4): 17138.96
ACD/KOC (pH 7.4): 37348.46
Polar Surface Area: 71 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 43.8±7.0 dyne/cm
Molar Volume: 373.7±7.0 cm3

Click to predict properties on the Chemicalize site


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