ChemSpider 2D Image | Ethyl 4-({[1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazol-4-yl]carbonyl}amino)benzoate | C28H25N5O4

Ethyl 4-({[1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazol-4-yl]carbonyl}amino)benzoate

  • Molecular FormulaC28H25N5O4
  • Average mass495.529 Da
  • Monoisotopic mass495.190643 Da
  • ChemSpider ID22955164

More details:

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

4-({[1-(3-Phényl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazol-4-yl]carbonyl}amino)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[1-(3-phenyl-2,1-benzisoxazol-5-yl)-5-propyl-1H-1,2,3-triazol-4-yl]carbonyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-({[1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazol-4-yl]carbonyl}amino)benzoate [ACD/IUPAC Name]
Ethyl-4-({[1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1H-1,2,3-triazol-4-yl]carbonyl}amino)benzoat [German] [ACD/IUPAC Name]
4-{[1-(3-Phenyl-benzo[c]isoxazol-5-yl)-5-propyl-1H-[1,2,3]triazole-4-carbonyl]-amino}-benzoic acid ethyl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.663
Molar Refractivity: 139.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1174.84
ACD/KOC (pH 5.5): 5483.87
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1173.32
ACD/KOC (pH 7.4): 5476.81
Polar Surface Area: 112 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 375.6±7.0 cm3

Click to predict properties on the Chemicalize site


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