ChemSpider 2D Image | 14,17-Dithia-22,23,24-triazatetracyclo[16.3.1.1~3,7~.1~9,13~]tetracosa-1(22),3(24),4,6,9(23),10,12,18,20-nonaene-2,8-dione | C19H13N3O2S2

14,17-Dithia-22,23,24-triazatetracyclo[16.3.1.13,7.19,13]tetracosa-1(22),3(24),4,6,9(23),10,12,18,20-nonaene-2,8-dione

  • Molecular FormulaC19H13N3O2S2
  • Average mass379.455 Da
  • Monoisotopic mass379.044922 Da
  • ChemSpider ID21126165

More details:

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

14,17-Dithia-22,23,24-triazatetracyclo[16.3.1.13,7.19,13]tetracosa-1(22),3(24),4,6,9(23),10,12,18,20-nonaen-2,8-dion [German] [ACD/IUPAC Name]
14,17-Dithia-22,23,24-triazatetracyclo[16.3.1.13,7.19,13]tetracosa-1(22),3(24),4,6,9(23),10,12,18,20-nonaene-2,8-dione [ACD/IUPAC Name]
14,17-Dithia-22,23,24-triazatétracyclo[16.3.1.13,7.19,13]tétracosa-1(22),3(24),4,6,9(23),10,12,18,20-nonaène-2,8-dione [French] [ACD/IUPAC Name]
14,17-Dithia-22,23,24-triazatetracyclo[16.3.1.13,7.19,13]tetracosa-1(22),3,5,7(24),9,11,13(23),18,20-nonaene-2,8-dione [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 674.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 361.5±31.5 °C
Index of Refraction: 1.676
Molar Refractivity: 103.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 45.04
ACD/KOC (pH 5.5): 531.23
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 45.04
ACD/KOC (pH 7.4): 531.24
Polar Surface Area: 123 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 65.2±3.0 dyne/cm
Molar Volume: 273.9±3.0 cm3

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