ChemSpider 2D Image | 12-[3-(4-Fluorophenoxy)propanoyl]-N-methyl-2-oxo-9-oxa-1,12-diazatricyclo[15.2.2.0~3,8~]henicosa-3,5,7-triene-17-carboxamide | C29H36FN3O5

12-[3-(4-Fluorophenoxy)propanoyl]-N-methyl-2-oxo-9-oxa-1,12-diazatricyclo[15.2.2.03,8]henicosa-3,5,7-triene-17-carboxamide

  • Molecular FormulaC29H36FN3O5
  • Average mass525.612 Da
  • Monoisotopic mass525.263916 Da
  • ChemSpider ID77201738

More details:

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

12-[3-(4-Fluorophenoxy)propanoyl]-N-methyl-2-oxo-9-oxa-1,12-diazatricyclo[15.2.2.03,8]henicosa-3,5,7-triene-17-carboxamide [ACD/IUPAC Name]
12-[3-(4-Fluorophénoxy)propanoyl]-N-méthyl-2-oxo-9-oxa-1,12-diazatricyclo[15.2.2.03,8]hénicosa-3,5,7-triène-17-carboxamide [French] [ACD/IUPAC Name]
12-[3-(4-Fluorphenoxy)propanoyl]-N-methyl-2-oxo-9-oxa-1,12-diazatricyclo[15.2.2.03,8]henicosa-3,5,7-trien-17-carboxamid [German] [ACD/IUPAC Name]
13H-9,12-Ethano-1,4,12-benzoxadiazacyclopentadecine-9(2H)-carboxamide, 4-[3-(4-fluorophenoxy)-1-oxopropyl]-3,4,5,6,7,8,10,11-octahydro-N-methyl-13-oxo- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 774.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.7±3.0 kJ/mol
Flash Point: 422.0±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 141.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 199.15
ACD/KOC (pH 5.5): 1539.41
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 199.15
ACD/KOC (pH 7.4): 1539.41
Polar Surface Area: 88 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 416.1±5.0 cm3

Click to predict properties on the Chemicalize site


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