ChemSpider 2D Image | 2-Bromo-N-(4-{[(7alpha,14xi)-3,17-dioxoandrost-4-en-7-yl]sulfanyl}phenyl)acetamide | C27H32BrNO3S

2-Bromo-N-(4-{[(7α,14ξ)-3,17-dioxoandrost-4-en-7-yl]sulfanyl}phenyl)acetamide

  • Molecular FormulaC27H32BrNO3S
  • Average mass530.517 Da
  • Monoisotopic mass529.128601 Da
  • ChemSpider ID112141
  • defined stereocentres - 5 of 6 defined stereocentres


More details:






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

2-Brom-N-(4-{[(7α,14ξ)-3,17-dioxoandrost-4-en-7-yl]sulfanyl}phenyl)acetamid [German] [ACD/IUPAC Name]
2-Bromo-N-(4-{[(7α,14ξ)-3,17-dioxoandrost-4-en-7-yl]sulfanyl}phenyl)acetamide [ACD/IUPAC Name]
2-Bromo-N-(4-{[(7α,14ξ)-3,17-dioxoandrost-4-én-7-yl]sulfanyl}phényl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-bromo-N-[4-[[(7α,14ξ)-3,17-dioxoandrost-4-en-7-yl]thio]phenyl]- [ACD/Index Name]
7-(4'-Bromoacetamido)phenylthio-4-androstene-3,17-dione
7-Bpta
96937-87-0 [RN]
Acetamide, 2-bromo-N-(4-(((7α)-3,17-dioxoandrost-4-en-7-yl)thio)phenyl)-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 698.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 376.0±31.5 °C
Index of Refraction: 1.633
Molar Refractivity: 135.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1073.20
ACD/KOC (pH 5.5): 5139.97
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 1073.18
ACD/KOC (pH 7.4): 5139.86
Polar Surface Area: 89 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 378.5±5.0 cm3

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