ChemSpider 2D Image | 2-[(2-Methylbenzyl)sulfanyl]-1-[3-(4-morpholinyl)propyl]-5-(4-morpholinylsulfonyl)-1H-benzimidazole | C26H34N4O4S2

2-[(2-Methylbenzyl)sulfanyl]-1-[3-(4-morpholinyl)propyl]-5-(4-morpholinylsulfonyl)-1H-benzimidazole

  • Molecular FormulaC26H34N4O4S2
  • Average mass530.703 Da
  • Monoisotopic mass530.202148 Da
  • ChemSpider ID22771965

More details:

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

1H-Benzimidazole, 2-[[(2-methylphenyl)methyl]thio]-1-[3-(4-morpholinyl)propyl]-5-(4-morpholinylsulfonyl)- [ACD/Index Name]
2-[(2-Methylbenzyl)sulfanyl]-1-[3-(4-morpholinyl)propyl]-5-(4-morpholinylsulfonyl)-1H-benzimidazol [German] [ACD/IUPAC Name]
2-[(2-Methylbenzyl)sulfanyl]-1-[3-(4-morpholinyl)propyl]-5-(4-morpholinylsulfonyl)-1H-benzimidazole [ACD/IUPAC Name]
2-[(2-Méthylbenzyl)sulfanyl]-1-[3-(4-morpholinyl)propyl]-5-(4-morpholinylsulfonyl)-1H-benzimidazole [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: 734.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 398.0±35.7 °C
Index of Refraction: 1.660
Molar Refractivity: 144.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 7.30
ACD/KOC (pH 5.5): 45.98
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 237.56
ACD/KOC (pH 7.4): 1496.98
Polar Surface Area: 111 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 55.0±7.0 dyne/cm
Molar Volume: 392.0±7.0 cm3

Click to predict properties on the Chemicalize site


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