ChemSpider 2D Image | N-(2,6-Dimethoxy-4-pyrimidinyl)-4-{[(9-ethyl-9H-carbazol-2-yl)carbamothioyl]amino}benzenesulfonamide | C27H26N6O4S2

N-(2,6-Dimethoxy-4-pyrimidinyl)-4-{[(9-ethyl-9H-carbazol-2-yl)carbamothioyl]amino}benzenesulfonamide

  • Molecular FormulaC27H26N6O4S2
  • Average mass562.663 Da
  • Monoisotopic mass562.145691 Da
  • ChemSpider ID76809608

More details:

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

Benzenesulfonamide, N-(2,6-dimethoxy-4-pyrimidinyl)-4-[[[(9-ethyl-9H-carbazol-2-yl)amino]thioxomethyl]amino]- [ACD/Index Name]
N-(2,6-Dimethoxy-4-pyrimidinyl)-4-{[(9-ethyl-9H-carbazol-2-yl)carbamothioyl]amino}benzenesulfonamide [ACD/IUPAC Name]
N-(2,6-Diméthoxy-4-pyrimidinyl)-4-{[(9-éthyl-9H-carbazol-2-yl)carbamothioyl]amino}benzènesulfonamide [French] [ACD/IUPAC Name]
N-(2,6-Dimethoxy-4-pyrimidinyl)-4-{[(9-ethyl-9H-carbazol-2-yl)carbamothioyl]amino}benzolsulfonamid [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: 724.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 391.7±35.7 °C
Index of Refraction: 1.695
Molar Refractivity: 152.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 169.66
ACD/KOC (pH 5.5): 595.74
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 33.75
ACD/KOC (pH 7.4): 118.51
Polar Surface Area: 160 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 397.6±7.0 cm3

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