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Search term: KIXCXNFESLYJEK-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-[3-(4-{5-Butyl-4-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-2-yl}phenoxy)propyl]piperidine | C33H37ClN2O2S

1-[3-(4-{5-Butyl-4-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-2-yl}phenoxy)propyl]piperidine

  • Molecular FormulaC33H37ClN2O2S
  • Average mass561.177 Da
  • Monoisotopic mass560.226440 Da
  • ChemSpider ID28647389

More details:

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

1-[3-(4-{5-Butyl-4-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-2-yl}phenoxy)propyl]piperidine [ACD/IUPAC Name]
1-[3-(4-{5-Butyl-4-[4-(4-chlorophénoxy)phényl]-1,3-thiazol-2-yl}phénoxy)propyl]pipéridine [French] [ACD/IUPAC Name]
1-[3-(4-{5-Butyl-4-[4-(4-chlorphenoxy)phenyl]-1,3-thiazol-2-yl}phenoxy)propyl]piperidin [German] [ACD/IUPAC Name]
Piperidine, 1-[3-[4-[5-butyl-4-[4-(4-chlorophenoxy)phenyl]-2-thiazolyl]phenoxy]propyl]- [ACD/Index 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: 697.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.3±34.3 °C
Index of Refraction: 1.590
Molar Refractivity: 162.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 10.95
ACD/LogD (pH 5.5): 5.40
ACD/BCF (pH 5.5): 1382.73
ACD/KOC (pH 5.5): 828.91
ACD/LogD (pH 7.4): 6.25
ACD/BCF (pH 7.4): 9731.61
ACD/KOC (pH 7.4): 5833.84
Polar Surface Area: 63 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 481.6±3.0 cm3

Click to predict properties on the Chemicalize site


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