ChemSpider 2D Image | 3-{[Benzyl(2-methyl-2-propanyl)amino]methyl}-5-[3-(4-morpholinylsulfonyl)phenyl]-1,3,4-oxadiazole-2(3H)-thione | C24H30N4O4S2

3-{[Benzyl(2-methyl-2-propanyl)amino]methyl}-5-[3-(4-morpholinylsulfonyl)phenyl]-1,3,4-oxadiazole-2(3H)-thione

  • Molecular FormulaC24H30N4O4S2
  • Average mass502.649 Da
  • Monoisotopic mass502.170837 Da
  • ChemSpider ID1794620

More details:

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

1,3,4-Oxadiazole-2(3H)-thione, 3-[[(1,1-dimethylethyl)(phenylmethyl)amino]methyl]-5-[3-(4-morpholinylsulfonyl)phenyl]- [ACD/Index Name]
3-{[Benzyl(2-methyl-2-propanyl)amino]methyl}-5-[3-(4-morpholinylsulfonyl)phenyl]-1,3,4-oxadiazol-2(3H)-thion [German] [ACD/IUPAC Name]
3-{[Benzyl(2-methyl-2-propanyl)amino]methyl}-5-[3-(4-morpholinylsulfonyl)phenyl]-1,3,4-oxadiazole-2(3H)-thione [ACD/IUPAC Name]
3-{[Benzyl(2-méthyl-2-propanyl)amino]méthyl}-5-[3-(4-morpholinylsulfonyl)phényl]-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: 1.3±0.1 g/cm3
Boiling Point: 607.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 320.9±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 137.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 15.13
ACD/KOC (pH 5.5): 131.13
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 121.08
ACD/KOC (pH 7.4): 1049.68
Polar Surface Area: 115 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 49.5±7.0 dyne/cm
Molar Volume: 386.3±7.0 cm3

Click to predict properties on the Chemicalize site


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