ChemSpider 2D Image | N-(4-{[(E)-{(Cyanoamino)[(1-methyl-4(1H)-pyridinylidene)amino]methylene}amino]methyl}phenyl)-5-(dimethylamino)-1-naphthalenesulfonamide | C27H27N7O2S

N-(4-{[(E)-{(Cyanoamino)[(1-methyl-4(1H)-pyridinylidene)amino]methylene}amino]methyl}phenyl)-5-(dimethylamino)-1-naphthalenesulfonamide

  • Molecular FormulaC27H27N7O2S
  • Average mass513.614 Da
  • Monoisotopic mass513.194702 Da
  • ChemSpider ID8068326

More details:

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

1-Naphthalenesulfonamide, N-[4-[[[(1E)-(cyanoamino)[(1-methyl-4(1H)-pyridinylidene)amino]methylene]amino]methyl]phenyl]-5-(dimethylamino)- [ACD/Index Name]
N-(4-{[(E)-{(Cyanamino)[(1-methyl-4(1H)-pyridinyliden)amino]methylen}amino]methyl}phenyl)-5-(dimethylamino)-1-naphthalinsulfonamid [German] [ACD/IUPAC Name]
N-(4-{[(E)-{(Cyanoamino)[(1-méthyl-4(1H)-pyridinylidène)amino]méthylène}amino]méthyl}phényl)-5-(diméthylamino)-1-naphtalènesulfonamide [French] [ACD/IUPAC Name]
N-(4-{[(E)-{(Cyanoamino)[(1-methyl-4(1H)-pyridinylidene)amino]methylene}amino]methyl}phenyl)-5-(dimethylamino)-1-naphthalenesulfonamide [ACD/IUPAC 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: 667.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 357.7±34.3 °C
Index of Refraction: 1.647
Molar Refractivity: 148.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 2.69
ACD/KOC (pH 5.5): 19.50
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 14.99
ACD/KOC (pH 7.4): 108.75
Polar Surface Area: 122 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 407.5±7.0 cm3

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