ChemSpider 2D Image | bisnafide | C32H28N6O8

bisnafide

  • Molecular FormulaC32H28N6O8
  • Average mass624.600 Da
  • Monoisotopic mass624.196838 Da
  • ChemSpider ID54889

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

144849-63-8 [RN]
1H-Benz[de]isoquinoline-1,3(2H)-dione, 2,2'-[1,2-ethanediylbis[imino[(1R)-1-methyl-2,1-ethanediyl]]]bis[5-nitro- [ACD/Index Name]
2,2'-{1,2-Ethandiylbis[imino(2R)-1,2-propandiyl]}bis(5-nitro-1H-benzo[de]isochinolin-1,3(2H)-dion) [German] [ACD/IUPAC Name]
2,2'-{1,2-Éthanediylbis[imino(2R)-1,2-propanediyl]}bis(5-nitro-1H-benzo[de]isoquinoléine-1,3(2H)-dione) [French] [ACD/IUPAC Name]
2,2'-{1,2-Ethanediylbis[imino(2R)-1,2-propanediyl]}bis(5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione) [ACD/IUPAC Name]
bisnafide
2,2'-{ethane-1,2-diylbis[imino(2r)propane-1,2-diyl]}bis(5-nitro-1h-benzo[de]isoquinoline-1,3(2h)-dione)

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

62H4W26906 [DBID]
7368 [DBID]
UNII:62H4W26906 [DBID]
UNII-62H4W26906 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 849.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.5±3.0 kJ/mol
Flash Point: 467.7±34.3 °C
Index of Refraction: 1.714
Molar Refractivity: 166.2±0.3 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 3.95
ACD/KOC (pH 7.4): 26.47
Polar Surface Area: 190 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 74.9±3.0 dyne/cm
Molar Volume: 423.4±3.0 cm3

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