ChemSpider 2D Image | N,N-Dimethyl-1-propyl-2-({[4-(2H-1,2,3-triazol-2-yl)phenyl]amino}methyl)-1H-benzimidazole-5-sulfonamide | C21H25N7O2S

N,N-Dimethyl-1-propyl-2-({[4-(2H-1,2,3-triazol-2-yl)phenyl]amino}methyl)-1H-benzimidazole-5-sulfonamide

  • Molecular FormulaC21H25N7O2S
  • Average mass439.534 Da
  • Monoisotopic mass439.179047 Da
  • ChemSpider ID22810729

More details:

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

1H-Benzimidazole-5-sulfonamide, N,N-dimethyl-1-propyl-2-[[[4-(2H-1,2,3-triazol-2-yl)phenyl]amino]methyl]- [ACD/Index Name]
N,N-Dimethyl-1-propyl-2-({[4-(2H-1,2,3-triazol-2-yl)phenyl]amino}methyl)-1H-benzimidazol-5-sulfonamid [German] [ACD/IUPAC Name]
N,N-Dimethyl-1-propyl-2-({[4-(2H-1,2,3-triazol-2-yl)phenyl]amino}methyl)-1H-benzimidazole-5-sulfonamide [ACD/IUPAC Name]
N,N-Diméthyl-1-propyl-2-({[4-(2H-1,2,3-triazol-2-yl)phényl]amino}méthyl)-1H-benzimidazole-5-sulfonamide [French] [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: 698.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 376.3±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 122.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 58.85
ACD/KOC (pH 5.5): 635.96
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 61.23
ACD/KOC (pH 7.4): 661.72
Polar Surface Area: 106 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 325.2±7.0 cm3

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