Found 1 result

Search term: OCPNCKIFTLRQRN-USHMODERBP (Found by InChIKey (full match))
ChemSpider 2D Image | (5Z)-5-{[3-(3-Fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-[4-(pentyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one | C32H28FN5O3S

(5Z)-5-{[3-(3-Fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-[4-(pentyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

  • Molecular FormulaC32H28FN5O3S
  • Average mass581.660 Da
  • Monoisotopic mass581.189697 Da
  • ChemSpider ID4881313

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z)-5-{[3-(3-Fluor-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylen}-2-[4-(pentyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-on [German] [ACD/IUPAC Name]
(5Z)-5-{[3-(3-Fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-[4-(pentyloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one [ACD/IUPAC Name]
(5Z)-5-{[3-(3-Fluoro-4-méthoxyphényl)-1-phényl-1H-pyrazol-4-yl]méthylène}-2-[4-(pentyloxy)phényl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one [French] [ACD/IUPAC Name]
Thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 5-[[3-(3-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-[4-(pentyloxy)phenyl]-, (5Z)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 773.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 421.3±35.7 °C
Index of Refraction: 1.667
Molar Refractivity: 162.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 9.21
ACD/LogD (pH 5.5): 7.71
ACD/BCF (pH 5.5): 424067.25
ACD/KOC (pH 5.5): 371270.31
ACD/LogD (pH 7.4): 7.71
ACD/BCF (pH 7.4): 424067.25
ACD/KOC (pH 7.4): 371270.31
Polar Surface Area: 109 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 437.3±7.0 cm3

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