Found 1 result

Search term: CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(Cl)c(O)cc1O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide | C23H24ClN3O5

5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide

  • Molecular FormulaC23H24ClN3O5
  • Average mass457.907 Da
  • Monoisotopic mass457.140442 Da
  • ChemSpider ID22376200

More details:

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

3-Isoxazolecarboxamide, 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(4-morpholinylmethyl)phenyl]- [ACD/Index Name]
5-(5-Chlor-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(4-morpholinylmethyl)phenyl]-1,2-oxazol-3-carboxamid [German] [ACD/IUPAC Name]
5-(5-Chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(4-morpholinylmethyl)phenyl]-1,2-oxazole-3-carboxamide [ACD/IUPAC Name]
5-(5-Chloro-2,4-dihydroxyphényl)-N-éthyl-4-[4-(4-morpholinylméthyl)phényl]-1,2-oxazole-3-carboxamide [French] [ACD/IUPAC Name]
5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide
2EQ
5-(5-chloro-2,4-dihydroxy-phenyl)-4-(4-morpholin-4-ylmethyl-phenyl)-4-isoxazole-3-carboxylic acid ethylamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL398346/
Isoxazole, 30d

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

Density: 1.4±0.1 g/cm3
Boiling Point: 633.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 337.1±31.5 °C
Index of Refraction: 1.621
Molar Refractivity: 119.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.64
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 4.34
ACD/KOC (pH 5.5): 61.79
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 2.69
ACD/KOC (pH 7.4): 38.26
Polar Surface Area: 108 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 339.1±3.0 cm3

Click to predict properties on the Chemicalize site


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