ChemSpider 2D Image | N-Benzyl-N-(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-2-methylbenzenesulfonamide | C28H29N5O2S

N-Benzyl-N-(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-2-methylbenzenesulfonamide

  • Molecular FormulaC28H29N5O2S
  • Average mass499.627 Da
  • Monoisotopic mass499.204193 Da
  • ChemSpider ID25060972

More details:






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

Benzenesulfonamide, N-[2-[(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino]ethyl]-2-methyl-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-N-(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-2-methylbenzenesulfonamide [ACD/IUPAC Name]
N-Benzyl-N-(2-{(4-cyanophényl)[(1-méthyl-1H-imidazol-5-yl)méthyl]amino}éthyl)-2-méthylbenzènesulfonamide [French] [ACD/IUPAC Name]
N-Benzyl-N-(2-{(4-cyanphenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-2-methylbenzolsulfonamid [German] [ACD/IUPAC Name]
ED7
ethylenediamine scaffold, 7

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 771.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 420.2±35.7 °C
Index of Refraction: 1.618
Molar Refractivity: 147.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 129.16
ACD/KOC (pH 5.5): 528.87
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1583.61
ACD/KOC (pH 7.4): 6484.16
Polar Surface Area: 91 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 421.1±7.0 cm3

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