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Search term: VUOFPKJWKCCHBI-UHFFFAOYSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 5-{2-[4-(Dimethylamino)phenoxy]-4,6-dihydroxyphenyl}-N-(1-methyl-4-piperidinyl)-1,2-oxazole-3-carboxamide | C24H28N4O5

5-{2-[4-(Dimethylamino)phenoxy]-4,6-dihydroxyphenyl}-N-(1-methyl-4-piperidinyl)-1,2-oxazole-3-carboxamide

  • Molecular FormulaC24H28N4O5
  • Average mass452.503 Da
  • Monoisotopic mass452.205963 Da
  • ChemSpider ID30840709

More details:






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

3-Isoxazolecarboxamide, 5-[2-[4-(dimethylamino)phenoxy]-4,6-dihydroxyphenyl]-N-(1-methyl-4-piperidinyl)- [ACD/Index Name]
5-{2-[4-(Dimethylamino)phenoxy]-4,6-dihydroxyphenyl}-N-(1-methyl-4-piperidinyl)-1,2-oxazol-3-carboxamid [German] [ACD/IUPAC Name]
5-{2-[4-(Dimethylamino)phenoxy]-4,6-dihydroxyphenyl}-N-(1-methyl-4-piperidinyl)-1,2-oxazole-3-carboxamide [ACD/IUPAC Name]
5-{2-[4-(Diméthylamino)phénoxy]-4,6-dihydroxyphényl}-N-(1-méthyl-4-pipéridinyl)-1,2-oxazole-3-carboxamide [French] [ACD/IUPAC Name]
10.1016/j.bmc.2013.09.018

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 677.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 363.8±31.5 °C
Index of Refraction: 1.667
Molar Refractivity: 122.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.03
ACD/LogD (pH 5.5): -1.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.59
Polar Surface Area: 111 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 73.4±5.0 dyne/cm
Molar Volume: 328.9±5.0 cm3

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