ChemSpider 2D Image | 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl [(1-benzyl-1H-indazol-3-yl)oxy]acetate | C37H42N2O7

11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl [(1-benzyl-1H-indazol-3-yl)oxy]acetate

  • Molecular FormulaC37H42N2O7
  • Average mass626.739 Da
  • Monoisotopic mass626.299194 Da
  • ChemSpider ID21161551

More details:

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

[(1-Benzyl-1H-indazol-3-yl)oxy]acétate de 11,17-dihydroxy-3,20-dioxoprégn-4-én-21-yle [French] [ACD/IUPAC Name]
11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl [(1-benzyl-1H-indazol-3-yl)oxy]acetate [ACD/IUPAC Name]
11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl-[(1-benzyl-1H-indazol-3-yl)oxy]acetat [German] [ACD/IUPAC Name]
258-710-3 [EINECS]
53716-43-1 [RN]
Acetic acid, 2-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-, 11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl ester [ACD/Index Name]
11β,17-dihydroxypregn-4-ene-3,20-dione 21-[(1-benzyl-1H-indazol-3-yl)oxy]acetate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 813.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.0±3.0 kJ/mol
Flash Point: 445.9±34.3 °C
Index of Refraction: 1.670
Molar Refractivity: 170.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 5.26
ACD/BCF (pH 5.5): 5897.12
ACD/KOC (pH 5.5): 17402.52
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 5897.22
ACD/KOC (pH 7.4): 17402.82
Polar Surface Area: 128 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 56.1±7.0 dyne/cm
Molar Volume: 456.6±7.0 cm3

Click to predict properties on the Chemicalize site


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