ChemSpider 2D Image | N,N-Dipropyl-4-{[3-(2,3,5,6-tetramethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a]benzotriazol-9-yl]carbonyl}benzenesulfonamide | C30H35N5O4S

N,N-Dipropyl-4-{[3-(2,3,5,6-tetramethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a]benzotriazol-9-yl]carbonyl}benzenesulfonamide

  • Molecular FormulaC30H35N5O4S
  • Average mass561.695 Da
  • Monoisotopic mass561.240967 Da
  • ChemSpider ID3512962

More details:

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

Benzenesulfonamide, N,N-dipropyl-4-[[3-(2,3,5,6-tetramethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a][1,2,3]benzotriazol-9-yl]carbonyl]- [ACD/Index Name]
N,N-Dipropyl-4-{[3-(2,3,5,6-tetramethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a]benzotriazol-9-yl]carbonyl}benzenesulfonamide [ACD/IUPAC Name]
N,N-Dipropyl-4-{[3-(2,3,5,6-tétraméthylphényl)-9H-[1,2,3,5]oxatriazolo[3,2-a]benzotriazol-9-yl]carbonyl}benzènesulfonamide [French] [ACD/IUPAC Name]
N,N-Dipropyl-4-{[3-(2,3,5,6-tetramethylphenyl)-9H-[1,2,3,5]oxatriazolo[3,2-a]benzotriazol-9-yl]carbonyl}benzolsulfonamid [German] [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: 681.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 366.1±34.3 °C
Index of Refraction: 1.638
Molar Refractivity: 157.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.05
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 13554.10
ACD/KOC (pH 5.5): 31573.62
ACD/LogD (pH 7.4): 5.74
ACD/BCF (pH 7.4): 13554.11
ACD/KOC (pH 7.4): 31573.65
Polar Surface Area: 94 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 438.9±7.0 cm3

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