ChemSpider 2D Image | [5-(Dimethylsulfamoyl)-1-ethyl-1H-benzimidazol-2-yl]methyl 3-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)benzoate | C28H30N4O6S2

[5-(Dimethylsulfamoyl)-1-ethyl-1H-benzimidazol-2-yl]methyl 3-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)benzoate

  • Molecular FormulaC28H30N4O6S2
  • Average mass582.691 Da
  • Monoisotopic mass582.160645 Da
  • ChemSpider ID10966446

More details:

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

[5-(Dimethylsulfamoyl)-1-ethyl-1H-benzimidazol-2-yl]methyl 3-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)benzoate [ACD/IUPAC Name]
[5-(Dimethylsulfamoyl)-1-ethyl-1H-benzimidazol-2-yl]methyl-3-(3,4-dihydro-2(1H)-isochinolinylsulfonyl)benzoat [German] [ACD/IUPAC Name]
3-(3,4-Dihydro-2(1H)-isoquinoléinylsulfonyl)benzoate de [5-(diméthylsulfamoyl)-1-éthyl-1H-benzimidazol-2-yl]méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]-, [5-[(dimethylamino)sulfonyl]-1-ethyl-1H-benzimidazol-2-yl]methyl ester [ACD/Index 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: 811.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.9±3.0 kJ/mol
Flash Point: 444.3±37.1 °C
Index of Refraction: 1.662
Molar Refractivity: 155.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 2996.83
ACD/KOC (pH 5.5): 10705.24
ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 7.4): 3011.11
ACD/KOC (pH 7.4): 10756.23
Polar Surface Area: 136 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 56.5±7.0 dyne/cm
Molar Volume: 418.8±7.0 cm3

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