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

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

  • Molecular FormulaC33H37ClN2O2S
  • Average mass561.177 Da
  • Monoisotopic mass560.226440 Da
  • ChemSpider ID28650079

More details:

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

3-[(4-{5-Butyl-4-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-2-yl}phenoxy)methyl]-1-ethylpiperidine [ACD/IUPAC Name]
3-[(4-{5-Butyl-4-[4-(4-chlorophénoxy)phényl]-1,3-thiazol-2-yl}phénoxy)méthyl]-1-éthylpipéridine [French] [ACD/IUPAC Name]
3-[(4-{5-Butyl-4-[4-(4-chlorphenoxy)phenyl]-1,3-thiazol-2-yl}phenoxy)methyl]-1-ethylpiperidin [German] [ACD/IUPAC Name]
Piperidine, 3-[[4-[5-butyl-4-[4-(4-chlorophenoxy)phenyl]-2-thiazolyl]phenoxy]methyl]-1-ethyl- [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: 676.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 363.1±34.3 °C
Index of Refraction: 1.584
Molar Refractivity: 162.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 10.76
ACD/LogD (pH 5.5): 5.38
ACD/BCF (pH 5.5): 1393.40
ACD/KOC (pH 5.5): 881.01
ACD/LogD (pH 7.4): 6.67
ACD/BCF (pH 7.4): 27223.09
ACD/KOC (pH 7.4): 17212.51
Polar Surface Area: 63 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 486.2±3.0 cm3

Click to predict properties on the Chemicalize site


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