ChemSpider 2D Image | 4-{[(5R,7S)-1-(3-Fluorophenyl)-3,7-dimethyl-2,2-dioxido-2-thia-1,3,8-triazaspiro[4.5]dec-8-yl]methyl}-2-isopropoxyphenol | C24H32FN3O4S

4-{[(5R,7S)-1-(3-Fluorophenyl)-3,7-dimethyl-2,2-dioxido-2-thia-1,3,8-triazaspiro[4.5]dec-8-yl]methyl}-2-isopropoxyphenol

  • Molecular FormulaC24H32FN3O4S
  • Average mass477.592 Da
  • Monoisotopic mass477.209747 Da
  • ChemSpider ID28666062

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-{[(5r,7s)-1-(3-Fluorophenyl)-3,7-Dimethyl-2,2-Dioxido-2-Thia-1,3,8-Triazaspiro[4.5]dec-8-Yl]methyl}-2-(Propan-2-Yloxy)phenol
4-{[(5R,7S)-1-(3-Fluorophenyl)-3,7-dimethyl-2,2-dioxido-2-thia-1,3,8-triazaspiro[4.5]dec-8-yl]methyl}-2-isopropoxyphenol [ACD/IUPAC Name]
4-{[(5R,7S)-1-(3-Fluorophényl)-3,7-diméthyl-2,2-dioxydo-2-thia-1,3,8-triazaspiro[4.5]déc-8-yl]méthyl}-2-isopropoxyphénol [French] [ACD/IUPAC Name]
4-{[(5R,7S)-1-(3-Fluorphenyl)-3,7-dimethyl-2,2-dioxido-2-thia-1,3,8-triazaspiro[4.5]dec-8-yl]methyl}-2-isopropoxyphenol [German] [ACD/IUPAC Name]
Phenol, 4-[[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxido-2-thia-1,3,8-triazaspiro[4.5]dec-8-yl]methyl]-2-(1-methylethoxy)- [ACD/Index Name]
0UP

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

Density: 1.3±0.1 g/cm3
Boiling Point: 600.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 317.1±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 126.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.60
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 7.03
ACD/KOC (pH 7.4): 72.61
Polar Surface Area: 82 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 355.0±5.0 cm3

Click to predict properties on the Chemicalize site


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