ChemSpider 2D Image | N,N-Diethyl-2-[(2-naphthylmethyl)sulfanyl]-1-(tetrahydro-2-furanylmethyl)-1H-benzimidazole-5-sulfonamide | C27H31N3O3S2

N,N-Diethyl-2-[(2-naphthylmethyl)sulfanyl]-1-(tetrahydro-2-furanylmethyl)-1H-benzimidazole-5-sulfonamide

  • Molecular FormulaC27H31N3O3S2
  • Average mass509.683 Da
  • Monoisotopic mass509.180695 Da
  • ChemSpider ID22771275

More details:

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

1H-Benzimidazole-5-sulfonamide, N,N-diethyl-2-[(2-naphthalenylmethyl)thio]-1-[(tetrahydro-2-furanyl)methyl]- [ACD/Index Name]
N,N-Diethyl-2-[(2-naphthylmethyl)sulfanyl]-1-(tetrahydro-2-furanylmethyl)-1H-benzimidazol-5-sulfonamid [German] [ACD/IUPAC Name]
N,N-Diethyl-2-[(2-naphthylmethyl)sulfanyl]-1-(tetrahydro-2-furanylmethyl)-1H-benzimidazole-5-sulfonamide [ACD/IUPAC Name]
N,N-Diéthyl-2-[(2-naphtylméthyl)sulfanyl]-1-(tétrahydro-2-furanylméthyl)-1H-benzimidazole-5-sulfonamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 713.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 385.1±35.7 °C
Index of Refraction: 1.659
Molar Refractivity: 143.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 5.70
ACD/BCF (pH 5.5): 12757.86
ACD/KOC (pH 5.5): 30202.83
ACD/LogD (pH 7.4): 5.71
ACD/BCF (pH 7.4): 12804.53
ACD/KOC (pH 7.4): 30313.33
Polar Surface Area: 98 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 390.0±7.0 cm3

Click to predict properties on the Chemicalize site


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