Found 1 result

Search term: FRBRZGLUFOZRGD-JVPBZIDWSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-Acetamido-3-fluoro-N-(trans-4-hydroxycyclohexyl)-5-[(1S)-1-phenylethoxy]benzamide | C23H27FN2O4

4-Acetamido-3-fluoro-N-(trans-4-hydroxycyclohexyl)-5-[(1S)-1-phenylethoxy]benzamide

  • Molecular FormulaC23H27FN2O4
  • Average mass414.470 Da
  • Monoisotopic mass414.195496 Da
  • ChemSpider ID103748882

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2474876-09-8 [RN]
4-Acetamido-3-fluor-N-(trans-4-hydroxycyclohexyl)-5-[(1S)-1-phenylethoxy]benzamid [German] [ACD/IUPAC Name]
4-Acetamido-3-fluoro-N-(trans-4-hydroxycyclohexyl)-5-[(1S)-1-phenylethoxy]benzamide [ACD/IUPAC Name]
4-Acétamido-3-fluoro-N-(trans-4-hydroxycyclohexyl)-5-[(1S)-1-phényléthoxy]benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-(acetylamino)-3-fluoro-N-(trans-4-hydroxycyclohexyl)-5-[(1S)-1-phenylethoxy]- [ACD/Index Name]
4-(acetylamino)-3-fluoro-N-(trans-4-hydroxycyclohexyl)-5-[(1S)-1-phenylethoxy]benzamide
4-acetamido-3-fluoranyl-{N}-(4-oxidanylcyclohexyl)-5-[(1{S})-1-phenylethoxy]benzamide
4-Acetamido-3-fluoro-N-(4-hydroxycyclohexyl)-5-[(1S)-1-phenylethoxy]benzamide [ACD/IUPAC Name]
GSK046
iBET-BD2
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 562.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 294.0±30.1 °C
Index of Refraction: 1.592
Molar Refractivity: 111.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.66
ACD/KOC (pH 5.5): 718.30
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.66
ACD/KOC (pH 7.4): 718.30
Polar Surface Area: 88 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 328.7±5.0 cm3

Click to predict properties on the Chemicalize site


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