ChemSpider 2D Image | 3,4-Dimethoxy-13-(2-quinoxalinyl)-21-oxa-10,13,17-triazatetracyclo[16.6.2.1~2,6~.0~22,26~]heptacosa-1(24),2(27),3,5,22,25-hexaene-9,16-dione | C33H35N5O5

3,4-Dimethoxy-13-(2-quinoxalinyl)-21-oxa-10,13,17-triazatetracyclo[16.6.2.12,6.022,26]heptacosa-1(24),2(27),3,5,22,25-hexaene-9,16-dione

  • Molecular FormulaC33H35N5O5
  • Average mass581.661 Da
  • Monoisotopic mass581.263794 Da
  • ChemSpider ID107748445

More details:

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

13-(2-Chinoxalinyl)-3,4-dimethoxy-21-oxa-10,13,17-triazatetracyclo[16.6.2.12,6.022,26]heptacosa-1(24),2(27),3,5,22,25-hexaen-9,16-dion [German] [ACD/IUPAC Name]
17,19-Ethanediylidene-16,12-metheno-12H-pyrano[4,3-i][1,4,8]triazacycloeicosine-2,9-dione, 1,3,4,5,6,7,8,10,11,21,22,22a-dodecahydro-14,15-dimethoxy-5-(2-quinoxalinyl)- [ACD/Index Name]
3,4-Dimethoxy-13-(2-quinoxalinyl)-21-oxa-10,13,17-triazatetracyclo[16.6.2.12,6.022,26]heptacosa-1(24),2(27),3,5,22,25-hexaene-9,16-dione [ACD/IUPAC Name]
3,4-Diméthoxy-13-(2-quinoxalinyl)-21-oxa-10,13,17-triazatétracyclo[16.6.2.12,6.022,26]heptacosa-1(24),2(27),3,5,22,25-hexaène-9,16-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: 884.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.5±3.0 kJ/mol
Flash Point: 488.5±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 162.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 129.68
ACD/KOC (pH 5.5): 1003.84
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 196.84
ACD/KOC (pH 7.4): 1523.75
Polar Surface Area: 115 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 475.0±3.0 cm3

Click to predict properties on the Chemicalize site


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