ChemSpider 2D Image | 10-Oxa-3,5,15,17-tetrathia-7,13,24,25-tetraazatetracyclo[17.3.1.1~4,7~.1~13,16~]pentacosa-1(23),4(25),16(24),19,21-pentaene-6,14-dione | C16H16N4O3S4

10-Oxa-3,5,15,17-tetrathia-7,13,24,25-tetraazatetracyclo[17.3.1.14,7.113,16]pentacosa-1(23),4(25),16(24),19,21-pentaene-6,14-dione

  • Molecular FormulaC16H16N4O3S4
  • Average mass440.583 Da
  • Monoisotopic mass440.010529 Da
  • ChemSpider ID24731068

More details:

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

10-Oxa-3,5,15,17-tetrathia-7,13,24,25-tetraazatetracyclo[17.3.1.14,7.113,16]pentacosa-1(23),4(25),16(24),19,21-pentaen-6,14-dion [German] [ACD/IUPAC Name]
10-Oxa-3,5,15,17-tetrathia-7,13,24,25-tetraazatetracyclo[17.3.1.14,7.113,16]pentacosa-1(23),4(25),16(24),19,21-pentaene-6,14-dione [ACD/Index Name] [ACD/IUPAC Name]
10-Oxa-3,5,15,17-tétrathia-7,13,24,25-tétraazatétracyclo[17.3.1.14,7.113,16]pentacosa-1(23),4(25),16(24),19,21-pentaène-6,14-dione [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 634.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 337.4±34.3 °C
Index of Refraction: 1.807
Molar Refractivity: 114.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.42
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 2.99
ACD/KOC (pH 5.5): 76.24
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 2.99
ACD/KOC (pH 7.4): 76.24
Polar Surface Area: 176 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 77.3±7.0 dyne/cm
Molar Volume: 266.1±7.0 cm3

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