ChemSpider 2D Image | [5-(3,5-Dimethyl-1,2-oxazol-4-yl)-9,12-dioxa-15-azatricyclo[15.3.1.0~3,8~]henicosa-1(21),3,5,7,17,19-hexaen-15-yl][3-(4-fluorophenyl)-1,2-oxazol-4-yl]methanone | C33H30FN3O5

[5-(3,5-Dimethyl-1,2-oxazol-4-yl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3,5,7,17,19-hexaen-15-yl][3-(4-fluorophenyl)-1,2-oxazol-4-yl]methanone

  • Molecular FormulaC33H30FN3O5
  • Average mass567.607 Da
  • Monoisotopic mass567.216919 Da
  • ChemSpider ID80804752

More details:

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

[5-(3,5-Dimethyl-1,2-oxazol-4-yl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3,5,7,17,19-hexaen-15-yl][3-(4-fluorophenyl)-1,2-oxazol-4-yl]methanone [ACD/IUPAC Name]
[5-(3,5-Diméthyl-1,2-oxazol-4-yl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]hénicosa-1(21),3,5,7,17,19-hexaén-15-yl][3-(4-fluorophényl)-1,2-oxazol-4-yl]méthanone [French] [ACD/IUPAC Name]
[5-(3,5-Dimethyl-1,2-oxazol-4-yl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3,5,7,17,19-hexaen-15-yl][3-(4-fluorphenyl)-1,2-oxazol-4-yl]methanon [German] [ACD/IUPAC Name]
Methanone, [16-(3,5-dimethyl-4-isoxazolyl)-2,3,5,6-tetrahydro-14H-13,9-metheno-1,4,7-benzodioxaazacyclohexadecin-7(8H)-yl][3-(4-fluorophenyl)-4-isoxazolyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 768.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 418.3±32.9 °C
Index of Refraction: 1.579
Molar Refractivity: 152.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1062.60
ACD/KOC (pH 5.5): 5103.58
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1062.60
ACD/KOC (pH 7.4): 5103.58
Polar Surface Area: 91 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 459.8±3.0 cm3

Click to predict properties on the Chemicalize site


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