ChemSpider 2D Image | benzisoxazole hsp90 inhibitor | C19H20ClN3O4

benzisoxazole hsp90 inhibitor

  • Molecular FormulaC19H20ClN3O4
  • Average mass389.833 Da
  • Monoisotopic mass389.114227 Da
  • ChemSpider ID22376941

More details:

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

1,3-Benzenediol, 4-chloro-6-[5-[[2-(4-morpholinyl)ethyl]amino]-1,2-benzisoxazol-3-yl]- [ACD/Index Name]
1012788-65-6 [RN]
4-Chlor-6-(5-{[2-(4-morpholinyl)ethyl]amino}-1,2-benzoxazol-3-yl)-1,3-benzoldiol [German] [ACD/IUPAC Name]
4-Chloro-6-(5-{[2-(4-morpholinyl)ethyl]amino}-1,2-benzoxazol-3-yl)-1,3-benzenediol [ACD/IUPAC Name]
4-Chloro-6-(5-{[2-(4-morpholinyl)éthyl]amino}-1,2-benzoxazol-3-yl)-1,3-benzènediol [French] [ACD/IUPAC Name]
4-chloro-6-(5-{[2-(morpholin-4-yl)ethyl]amino}-1,2-benzoxazol-3-yl)benzene-1,3-diol
4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol
benzisoxazole hsp90 inhibitor
[1012788-65-6] [RN]
4-Chloro-6-(5-((2-(4-morpholinyl)ethyl)amino)-1,2-benzisoxazol-3-yl)-1,3-benzenediol
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  • Miscellaneous

    • Chemical Class:

      A member of the class of 1,2-benzoxazoles carrying 2,4-dihydroxy-4-chlorophenyl and (2-morpholin-4-ylethyl)amino substituents at positions 3 and 5 respectively. ChEBI CHEBI:90529

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

Density: 1.4±0.1 g/cm3
Boiling Point: 655.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 350.0±31.5 °C
Index of Refraction: 1.680
Molar Refractivity: 103.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.51
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 6.23
ACD/KOC (pH 7.4): 78.59
Polar Surface Area: 91 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 67.1±3.0 dyne/cm
Molar Volume: 274.2±3.0 cm3

Click to predict properties on the Chemicalize site


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