ChemSpider 2D Image | 1-(1-{[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1H-tetrazol-5-yl](2-thienyl)methyl}-4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one | C26H25N7O3S

1-(1-{[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1H-tetrazol-5-yl](2-thienyl)methyl}-4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one

  • Molecular FormulaC26H25N7O3S
  • Average mass515.587 Da
  • Monoisotopic mass515.173950 Da
  • ChemSpider ID26627613

More details:

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

1-(1-{[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1H-tetrazol-5-yl](2-thienyl)methyl}-4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-on [German] [ACD/IUPAC Name]
1-(1-{[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1H-tetrazol-5-yl](2-thienyl)methyl}-4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one [ACD/IUPAC Name]
1-(1-{[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1H-tétrazol-5-yl](2-thiényl)méthyl}-4-pipéridinyl)-1,3-dihydro-2H-benzimidazol-2-one [French] [ACD/IUPAC Name]
2H-Benzimidazol-2-one, 1-[1-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-tetrazol-5-yl]-2-thienylmethyl]-4-piperidinyl]-1,3-dihydro- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 771.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.2±3.0 kJ/mol
Flash Point: 420.1±35.7 °C
Index of Refraction: 1.802
Molar Refractivity: 140.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 36.49
ACD/KOC (pH 5.5): 344.75
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 68.63
ACD/KOC (pH 7.4): 648.30
Polar Surface Area: 132 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 71.2±7.0 dyne/cm
Molar Volume: 326.9±7.0 cm3

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