ChemSpider 2D Image | 13,16-Dioxa-10,19-dithia-3,26,32-triazatetracyclo[26.3.1.0~4,9~.0~20,25~]dotriaconta-1(32),4,6,8,20,22,24,28,30-nonaene-2,27-dione | C25H25N3O4S2

13,16-Dioxa-10,19-dithia-3,26,32-triazatetracyclo[26.3.1.04,9.020,25]dotriaconta-1(32),4,6,8,20,22,24,28,30-nonaene-2,27-dione

  • Molecular FormulaC25H25N3O4S2
  • Average mass495.614 Da
  • Monoisotopic mass495.128632 Da
  • ChemSpider ID21122403

More details:

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

13,16-Dioxa-10,19-dithia-3,26,32-triazatetracyclo[26.3.1.04,9.020,25]dotriaconta-1(32),4,6,8,20,22,24,28,30-nonaen-2,27-dion [German] [ACD/IUPAC Name]
13,16-Dioxa-10,19-dithia-3,26,32-triazatetracyclo[26.3.1.04,9.020,25]dotriaconta-1(32),4,6,8,20,22,24,28,30-nonaene-2,27-dione [ACD/IUPAC Name]
13,16-Dioxa-10,19-dithia-3,26,32-triazatétracyclo[26.3.1.04,9.020,25]dotriaconta-1(32),4,6,8,20,22,24,28,30-nonaène-2,27-dione [French] [ACD/IUPAC Name]
21,25-Nitrilo-25H-dibenzo[h,s][1,4,7,21,10,18]dioxadithiadiazacyclotricosine-20,26(19H,27H)-dione, 6,7,9,10,12,13-hexahydro- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.659
Molar Refractivity: 136.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 22.91
ACD/KOC (pH 5.5): 164.85
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.86
Polar Surface Area: 144 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 371.2±7.0 cm3

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