ChemSpider 2D Image | 11,23-Dimethyl-2,8,14,20-tetraoxa-5,17,26,28-tetraazapentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene | C22H16N4O4

11,23-Dimethyl-2,8,14,20-tetraoxa-5,17,26,28-tetraazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene

  • Molecular FormulaC22H16N4O4
  • Average mass400.387 Da
  • Monoisotopic mass400.117157 Da
  • ChemSpider ID21156759

More details:

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

11,23-Dimethyl-2,8,14,20-tetraoxa-5,17,26,28-tetraazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaen [German] [ACD/IUPAC Name]
11,23-Dimethyl-2,8,14,20-tetraoxa-5,17,26,28-tetraazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene [ACD/IUPAC Name]
11,23-Diméthyl-2,8,14,20-tétraoxa-5,17,26,28-tétraazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodécaène [French] [ACD/IUPAC Name]
2,8,14,20-Tetraoxa-5,17,26,28-tetraazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene, 11,23-dimethyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 594.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 206.2±20.4 °C
Index of Refraction: 1.626
Molar Refractivity: 106.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 274.84
ACD/KOC (pH 5.5): 1938.65
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 274.84
ACD/KOC (pH 7.4): 1938.65
Polar Surface Area: 88 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 301.7±3.0 cm3

Click to predict properties on the Chemicalize site


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