ChemSpider 2D Image | 2-(4-Fluorophenyl)-3-{[3-(3-methylbutoxy)benzyl]sulfanyl}-1,4-diazaspiro[4.5]deca-1,3-diene | C26H31FN2OS

2-(4-Fluorophenyl)-3-{[3-(3-methylbutoxy)benzyl]sulfanyl}-1,4-diazaspiro[4.5]deca-1,3-diene

  • Molecular FormulaC26H31FN2OS
  • Average mass438.600 Da
  • Monoisotopic mass438.214111 Da
  • ChemSpider ID75781336

More details:

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

1,4-Diazaspiro[4.5]deca-1,3-diene, 2-(4-fluorophenyl)-3-[[[3-(3-methylbutoxy)phenyl]methyl]thio]- [ACD/Index Name]
2-(4-Fluorophenyl)-3-{[3-(3-methylbutoxy)benzyl]sulfanyl}-1,4-diazaspiro[4.5]deca-1,3-diene [ACD/IUPAC Name]
2-(4-Fluorophényl)-3-{[3-(3-méthylbutoxy)benzyl]sulfanyl}-1,4-diazaspiro[4.5]déca-1,3-diène [French] [ACD/IUPAC Name]
2-(4-Fluorphenyl)-3-{[3-(3-methylbutoxy)benzyl]sulfanyl}-1,4-diazaspiro[4.5]deca-1,3-dien [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 554.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 289.4±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 127.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.61
ACD/LogD (pH 5.5): 6.63
ACD/BCF (pH 5.5): 44553.41
ACD/KOC (pH 5.5): 47696.17
ACD/LogD (pH 7.4): 7.28
ACD/BCF (pH 7.4): 199362.30
ACD/KOC (pH 7.4): 213425.14
Polar Surface Area: 59 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 41.3±7.0 dyne/cm
Molar Volume: 373.7±7.0 cm3

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