ChemSpider 2D Image | 1-(Benzyl{2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}amino)-3-isobutoxy-2-propanol | C27H37N3O6

1-(Benzyl{2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}amino)-3-isobutoxy-2-propanol

  • Molecular FormulaC27H37N3O6
  • Average mass499.599 Da
  • Monoisotopic mass499.268250 Da
  • ChemSpider ID22680418

More details:

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

1-(Benzyl{2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}amino)-3-isobutoxy-2-propanol [ACD/IUPAC Name]
1-(Benzyl{2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}amino)-3-isobutoxy-2-propanol [German] [ACD/IUPAC Name]
1-(Benzyl{2-[3-(3,4,5-triméthoxyphényl)-1,2,4-oxadiazol-5-yl]éthyl}amino)-3-isobutoxy-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-(2-methylpropoxy)-3-[(phenylmethyl)[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]- [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: 644.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 343.3±34.3 °C
Index of Refraction: 1.547
Molar Refractivity: 137.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 212.10
ACD/KOC (pH 5.5): 895.47
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1538.56
ACD/KOC (pH 7.4): 6495.60
Polar Surface Area: 99 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 433.4±3.0 cm3

Click to predict properties on the Chemicalize site


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