ChemSpider 2D Image | 7-Fluoro-23-methoxy-15-(tetrahydro-2H-pyran-4-ylcarbonyl)-2-oxa-10,15,19-triazatricyclo[19.2.2.0~3,8~]pentacosa-1(23),3,5,7,21,24-hexaene-11,20-dione | C28H34FN3O6

7-Fluoro-23-methoxy-15-(tetrahydro-2H-pyran-4-ylcarbonyl)-2-oxa-10,15,19-triazatricyclo[19.2.2.03,8]pentacosa-1(23),3,5,7,21,24-hexaene-11,20-dione

  • Molecular FormulaC28H34FN3O6
  • Average mass527.584 Da
  • Monoisotopic mass527.243164 Da
  • ChemSpider ID71323272

More details:

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

2,5-Etheno-1,7,11,16-benzoxatriazacyclononadecine-6,15-dione, 18-fluoro-7,8,9,10,11,12,13,14,16,17-decahydro-3-methoxy-11-[(tetrahydro-2H-pyran-4-yl)carbonyl]- [ACD/Index Name]
7-Fluor-23-methoxy-15-(tetrahydro-2H-pyran-4-ylcarbonyl)-2-oxa-10,15,19-triazatricyclo[19.2.2.03,8]pentacosa-1(23),3,5,7,21,24-hexaen-11,20-dion [German] [ACD/IUPAC Name]
7-Fluoro-23-methoxy-15-(tetrahydro-2H-pyran-4-ylcarbonyl)-2-oxa-10,15,19-triazatricyclo[19.2.2.03,8]pentacosa-1(23),3,5,7,21,24-hexaene-11,20-dione [ACD/IUPAC Name]
7-Fluoro-23-méthoxy-15-(tétrahydro-2H-pyran-4-ylcarbonyl)-2-oxa-10,15,19-triazatricyclo[19.2.2.03,8]pentacosa-1(23),3,5,7,21,24-hexaène-11,20-dione [French] [ACD/IUPAC 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: 837.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.7±3.0 kJ/mol
Flash Point: 460.2±34.3 °C
Index of Refraction: 1.532
Molar Refractivity: 136.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.06
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.26
ACD/KOC (pH 5.5): 171.20
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.26
ACD/KOC (pH 7.4): 171.20
Polar Surface Area: 106 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 441.4±3.0 cm3

Click to predict properties on the Chemicalize site


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