ChemSpider 2D Image | AUY922 | C27H33N3O5

AUY922

  • Molecular FormulaC27H33N3O5
  • Average mass479.568 Da
  • Monoisotopic mass479.242035 Da
  • ChemSpider ID23310246

More details:






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

3-Isoxazolecarboxamide, 5-[5-(1,1-dimethylethyl)-2,4-dihydroxyphenyl]-N-ethyl-4-[4-(4-morpholinylmethyl)phenyl]- [ACD/Index Name]
5-[2,4-Dihydroxy-5-(2-methyl-2-propanyl)phenyl]-N-ethyl-4-[4-(4-morpholinylmethyl)phenyl]-1,2-oxazol-3-carboxamid [German] [ACD/IUPAC Name]
5-[2,4-Dihydroxy-5-(2-methyl-2-propanyl)phenyl]-N-ethyl-4-[4-(4-morpholinylmethyl)phenyl]-1,2-oxazole-3-carboxamide [ACD/IUPAC Name]
5-[2,4-Dihydroxy-5-(2-méthyl-2-propanyl)phényl]-N-éthyl-4-[4-(4-morpholinylméthyl)phényl]-1,2-oxazole-3-carboxamide [French] [ACD/IUPAC Name]
747412-64-2 [RN]
AUY922
G1G66XE93W
5-(2,4-dihydroxy-5-ethyl-phenyl)-4-(4-morpholin-4-ylmethyl-phenyl)-isoxazole-3-carboxylic acid ethylamide
5-(5-(tert-butyl)-2,4-dihydroxyphenyl)-N-ethyl-4-(4-(morpholinomethyl)phenyl)isoxazole-3-carboxamide
5-(5-tert-butyl-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 641.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 341.6±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 132.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 8.91
ACD/KOC (pH 5.5): 103.88
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 34.92
ACD/KOC (pH 7.4): 407.02
Polar Surface Area: 108 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 393.8±3.0 cm3

Click to predict properties on the Chemicalize site






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