ChemSpider 2D Image | (8alpha,9beta,13alpha,17E)-17-{(2E)-[(1-Ethyl-5-methyl-1H-pyrazol-4-yl)methylene]hydrazono}estra-1(10),2,4-trien-3-ol | C25H32N4O

(8α,9β,13α,17E)-17-{(2E)-[(1-Ethyl-5-methyl-1H-pyrazol-4-yl)methylene]hydrazono}estra-1(10),2,4-trien-3-ol

  • Molecular FormulaC25H32N4O
  • Average mass404.548 Da
  • Monoisotopic mass404.257599 Da
  • ChemSpider ID62422000

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(8α,9β,13α,17E)-17-{(2E)-[(1-Ethyl-5-methyl-1H-pyrazol-4-yl)methylen]hydrazono}estra-1(10),2,4-trien-3-ol [German] [ACD/IUPAC Name]
(8α,9β,13α,17E)-17-{(2E)-[(1-Ethyl-5-methyl-1H-pyrazol-4-yl)methylen]hydrazono}estra-1,3,5(10)-trien-3-ol [German] [ACD/IUPAC Name]
(8α,9β,13α,17E)-17-{(2E)-[(1-Ethyl-5-methyl-1H-pyrazol-4-yl)methylene]hydrazono}estra-1(10),2,4-trien-3-ol [ACD/IUPAC Name]
(8α,9β,13α,17E)-17-{(2E)-[(1-Éthyl-5-méthyl-1H-pyrazol-4-yl)méthylène]hydrazono}estra-1(10),2,4-trién-3-ol [French] [ACD/IUPAC Name]
(8α,9β,13α,17E)-17-{(2E)-[(1-Ethyl-5-methyl-1H-pyrazol-4-yl)methylene]hydrazono}estra-1,3,5(10)-trien-3-ol [ACD/IUPAC Name]
(8α,9β,13α,17E)-17-{(2E)-[(1-Éthyl-5-méthyl-1H-pyrazol-4-yl)méthylène]hydrazono}estra-1,3,5(10)-trién-3-ol [French] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxaldehyde, 1-ethyl-5-methyl-, 2-[(8α,9β,13α,17E)-3-hydroxyestra-1(10),2,4-trien-17-ylidene]hydrazone [ACD/Index Name]
1H-Pyrazole-4-carboxaldehyde, 1-ethyl-5-methyl-, 2-[(8α,9β,13α,17E)-3-hydroxyestra-1,3,5(10)-trien-17-ylidene]hydrazone [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: 597.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 315.3±32.9 °C
Index of Refraction: 1.674
Molar Refractivity: 119.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 69.60
ACD/KOC (pH 5.5): 202.37
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 602.92
ACD/KOC (pH 7.4): 1753.02
Polar Surface Area: 63 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 317.2±7.0 cm3

Click to predict properties on the Chemicalize site


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