ChemSpider 2D Image | 3,7-Bis(dimethylamino)-N-[2-(5-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-10H-phenothiazine-10-carboxamide | C31H28N6O5S

3,7-Bis(dimethylamino)-N-[2-(5-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-10H-phenothiazine-10-carboxamide

  • Molecular FormulaC31H28N6O5S
  • Average mass596.656 Da
  • Monoisotopic mass596.184204 Da
  • ChemSpider ID129214598

More details:

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

10H-Phenothiazine-10-carboxamide, 3,7-bis(dimethylamino)-N-[2-(5-nitro-1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl)ethyl]- [ACD/Index Name]
3,7-Bis(dimethylamino)-N-[2-(5-nitro-1,3-dioxo-1H-benzo[de]isochinolin-2(3H)-yl)ethyl]-10H-phenothiazin-10-carboxamid [German] [ACD/IUPAC Name]
3,7-Bis(diméthylamino)-N-[2-(5-nitro-1,3-dioxo-1H-benzo[de]isoquinoléin-2(3H)-yl)éthyl]-10H-phénothiazine-10-carboxamide [French] [ACD/IUPAC Name]
3,7-Bis(dimethylamino)-N-[2-(5-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-10H-phenothiazine-10-carboxamide [ACD/IUPAC 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: 871.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 126.7±3.0 kJ/mol
Flash Point: 481.1±34.3 °C
Index of Refraction: 1.741
Molar Refractivity: 167.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 896.82
ACD/KOC (pH 5.5): 2783.84
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 4678.47
ACD/KOC (pH 7.4): 14522.48
Polar Surface Area: 147 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 72.5±3.0 dyne/cm
Molar Volume: 413.7±3.0 cm3

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