ChemSpider 2D Image | (5R,7S)-1-(3-Fluorophenyl)-8-(3-isopropoxybenzyl)-3,7-dimethyl-2-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide | C24H32FN3O3S

(5R,7S)-1-(3-Fluorophenyl)-8-(3-isopropoxybenzyl)-3,7-dimethyl-2-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide

  • Molecular FormulaC24H32FN3O3S
  • Average mass461.593 Da
  • Monoisotopic mass461.214844 Da
  • ChemSpider ID28663059
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(5r,7s)-1-(3-Fluorophenyl)-3,7-Dimethyl-8-[3-(Propan-2-Yloxy)benzyl]-2-Thia-1,3,8-Triazaspiro[4.5]decane 2,2-Dioxide
(5R,7S)-1-(3-Fluorophenyl)-8-(3-isopropoxybenzyl)-3,7-dimethyl-2-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide [ACD/IUPAC Name]
(5R,7S)-1-(3-Fluorphenyl)-8-(3-isopropoxybenzyl)-3,7-dimethyl-2-thia-1,3,8-triazaspiro[4.5]decan-2,2-dioxid [German] [ACD/IUPAC Name]
2,2-Dioxyde de (5R,7S)-1-(3-fluorophényl)-8-(3-isopropoxybenzyl)-3,7-diméthyl-2-thia-1,3,8-triazaspiro[4.5]décane [French] [ACD/IUPAC Name]
2-Thia-1,3,8-triazaspiro[4.5]decane, 1-(3-fluorophenyl)-3,7-dimethyl-8-[[3-(1-methylethoxy)phenyl]methyl]-, 2,2-dioxide, (5R,7S)- [ACD/Index Name]
0UQ

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

Density: 1.3±0.1 g/cm3
Boiling Point: 566.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 296.5±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 125.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.54
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 29.27
ACD/KOC (pH 7.4): 182.33
Polar Surface Area: 61 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 358.2±5.0 cm3

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