ChemSpider 2D Image | 5-(4,4''-Difluoro-5'-hydroxy-1,1':3',1''-terphenyl-4'-yl)-3-(4-morpholinylmethyl)-1,3,4-oxadiazole-2(3H)-thione | C25H21F2N3O3S

5-(4,4''-Difluoro-5'-hydroxy-1,1':3',1''-terphenyl-4'-yl)-3-(4-morpholinylmethyl)-1,3,4-oxadiazole-2(3H)-thione

  • Molecular FormulaC25H21F2N3O3S
  • Average mass481.514 Da
  • Monoisotopic mass481.127167 Da
  • ChemSpider ID30657227

More details:

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

1,3,4-Oxadiazole-2(3H)-thione, 5-(4,4''-difluoro-5'-hydroxy[1,1':3',1''-terphenyl]-4'-yl)-3-(4-morpholinylmethyl)- [ACD/Index Name]
5-(4,4''-Difluor-5'-hydroxy-1,1':3',1''-terphenyl-4'-yl)-3-(4-morpholinylmethyl)-1,3,4-oxadiazol-2(3H)-thion [German] [ACD/IUPAC Name]
5-(4,4''-Difluoro-5'-hydroxy-1,1':3',1''-terphenyl-4'-yl)-3-(4-morpholinylmethyl)-1,3,4-oxadiazole-2(3H)-thione [ACD/IUPAC Name]
5-(4,4''-Difluoro-5'-hydroxy-1,1':3',1''-terphényl-4'-yl)-3-(4-morpholinylméthyl)-1,3,4-oxadiazole-2(3H)-thione [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 601.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 317.4±34.3 °C
Index of Refraction: 1.660
Molar Refractivity: 126.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 307.45
ACD/KOC (pH 5.5): 1997.14
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 270.39
ACD/KOC (pH 7.4): 1756.38
Polar Surface Area: 90 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 48.8±7.0 dyne/cm
Molar Volume: 343.1±7.0 cm3

Click to predict properties on the Chemicalize site


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