ChemSpider 2D Image | 16-(2-Methoxyethyl)-9-[(6-methyl-2-pyridinyl)methyl]-4,13-dioxo-N-(tetrahydro-2H-pyran-4-yl)-2-oxa-5,9,14-triazabicyclo[16.2.2]docosa-1(20),18,21-triene-16-carboxamide | C34H49N5O6

16-(2-Methoxyethyl)-9-[(6-methyl-2-pyridinyl)methyl]-4,13-dioxo-N-(tetrahydro-2H-pyran-4-yl)-2-oxa-5,9,14-triazabicyclo[16.2.2]docosa-1(20),18,21-triene-16-carboxamide

  • Molecular FormulaC34H49N5O6
  • Average mass623.783 Da
  • Monoisotopic mass623.368286 Da
  • ChemSpider ID81369669

More details:

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

16-(2-Methoxyethyl)-9-[(6-methyl-2-pyridinyl)methyl]-4,13-dioxo-N-(tetrahydro-2H-pyran-4-yl)-2-oxa-5,9,14-triazabicyclo[16.2.2]docosa-1(20),18,21-trien-16-carboxamid [German] [ACD/IUPAC Name]
16-(2-Methoxyethyl)-9-[(6-methyl-2-pyridinyl)methyl]-4,13-dioxo-N-(tetrahydro-2H-pyran-4-yl)-2-oxa-5,9,14-triazabicyclo[16.2.2]docosa-1(20),18,21-triene-16-carboxamide [ACD/IUPAC Name]
16-(2-Méthoxyéthyl)-9-[(6-méthyl-2-pyridinyl)méthyl]-4,13-dioxo-N-(tétrahydro-2H-pyran-4-yl)-2-oxa-5,9,14-triazabicyclo[16.2.2]docosa-1(20),18,21-triène-16-carboxamide [French] [ACD/IUPAC Name]
2-Oxa-5,9,14-triazabicyclo[16.2.2]docosa-18,20,21-triene-16-carboxamide, 16-(2-methoxyethyl)-9-[(6-methyl-2-pyridinyl)methyl]-4,13-dioxo-N-(tetrahydro-2H-pyran-4-yl)- [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: 869.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 126.3±3.0 kJ/mol
Flash Point: 479.4±34.3 °C
Index of Refraction: 1.582
Molar Refractivity: 172.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.89
ACD/LogD (pH 5.5): -0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.40
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 2.15
ACD/KOC (pH 7.4): 50.22
Polar Surface Area: 131 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 515.5±5.0 cm3

Click to predict properties on the Chemicalize site


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