ChemSpider 2D Image | 5-(Dimethylamino)-N-(4-{[3,6-dioxo-4-(phenylsulfanyl)-1,4-cyclohexadien-1-yl]amino}phenyl)-1-naphthalenesulfonamide | C30H25N3O4S2

5-(Dimethylamino)-N-(4-{[3,6-dioxo-4-(phenylsulfanyl)-1,4-cyclohexadien-1-yl]amino}phenyl)-1-naphthalenesulfonamide

  • Molecular FormulaC30H25N3O4S2
  • Average mass555.667 Da
  • Monoisotopic mass555.128662 Da
  • ChemSpider ID21122437

More details:

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

1-Naphthalenesulfonamide, 5-(dimethylamino)-N-[4-[[3,6-dioxo-4-(phenylthio)-1,4-cyclohexadien-1-yl]amino]phenyl]- [ACD/Index Name]
5-(Diméthylamino)-N-(4-{[3,6-dioxo-4-(phénylsulfanyl)-1,4-cyclohexadién-1-yl]amino}phényl)-1-naphtalènesulfonamide [French] [ACD/IUPAC Name]
5-(Dimethylamino)-N-(4-{[3,6-dioxo-4-(phenylsulfanyl)-1,4-cyclohexadien-1-yl]amino}phenyl)-1-naphthalenesulfonamide [ACD/IUPAC Name]
5-(Dimethylamino)-N-(4-{[3,6-dioxo-4-(phenylsulfanyl)-1,4-cyclohexadien-1-yl]amino}phenyl)-1-naphthalinsulfonamid [German] [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: 734.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 397.7±35.7 °C
Index of Refraction: 1.741
Molar Refractivity: 156.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2723.69
ACD/KOC (pH 5.5): 9970.18
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2722.31
ACD/KOC (pH 7.4): 9965.16
Polar Surface Area: 129 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 74.3±5.0 dyne/cm
Molar Volume: 387.2±5.0 cm3

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