ChemSpider 2D Image | 2-Bromo-N-[(8xi,9xi,14xi,17alpha)-3-oxoandrost-4-en-17-yl]acetamide | C21H30BrNO2

2-Bromo-N-[(8ξ,9ξ,14ξ,17α)-3-oxoandrost-4-en-17-yl]acetamide

  • Molecular FormulaC21H30BrNO2
  • Average mass408.372 Da
  • Monoisotopic mass407.145996 Da
  • ChemSpider ID25995590
  • defined stereocentres - 3 of 6 defined stereocentres


More details:






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

2-Brom-N-[(8ξ,9ξ,14ξ,17α)-3-oxoandrost-4-en-17-yl]acetamid [German] [ACD/IUPAC Name]
2-Bromo-N-[(8ξ,9ξ,14ξ,17α)-3-oxoandrost-4-en-17-yl]acetamide [ACD/IUPAC Name]
2-Bromo-N-[(8ξ,9ξ,14ξ,17α)-3-oxoandrost-4-én-17-yl]acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-bromo-N-[(8ξ,9ξ,14ξ,17α)-3-oxoandrost-4-en-17-yl]- [ACD/Index Name]
2-bromo-N-[(10R,13S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]acetamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 552.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 288.2±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 102.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 368.07
ACD/KOC (pH 5.5): 2389.47
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 368.07
ACD/KOC (pH 7.4): 2389.46
Polar Surface Area: 46 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 309.7±5.0 cm3

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