ChemSpider 2D Image | 3-{[(16beta,17beta)-3,17-Dihydroxyestra-1(10),2,4-trien-16-yl]methyl}benzamide | C26H31NO3

3-{[(16β,17β)-3,17-Dihydroxyestra-1(10),2,4-trien-16-yl]methyl}benzamide

  • Molecular FormulaC26H31NO3
  • Average mass405.529 Da
  • Monoisotopic mass405.230408 Da
  • ChemSpider ID23324347

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

3-{[(16β,17β)-3,17-Dihydroxyestra-1(10),2,4-trien-16-yl]methyl}benzamid [German] [ACD/IUPAC Name]
3-{[(16β,17β)-3,17-Dihydroxyestra-1(10),2,4-trien-16-yl]methyl}benzamide [ACD/IUPAC Name]
3-{[(16β,17β)-3,17-Dihydroxyestra-1(10),2,4-trién-16-yl]méthyl}benzamide [French] [ACD/IUPAC Name]
3-{[(9β,14β,16α,17α)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide
Benzamide, 3-[[(16β,17β)-3,17-dihydroxyestra-1(10),2,4-trien-16-yl]methyl]- [ACD/Index Name]
3-(3,17β-dihydroxy-estra-1,3,5(10)-trien-16β-ylmethyl)-benzamide
E2B
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL410242/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 620.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 329.1±31.5 °C
Index of Refraction: 1.632
Molar Refractivity: 117.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 775.62
ACD/KOC (pH 5.5): 4073.88
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 774.59
ACD/KOC (pH 7.4): 4068.51
Polar Surface Area: 84 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 329.6±3.0 cm3

Click to predict properties on the Chemicalize site


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