ChemSpider 2D Image | 1-[(1,3-Benzodioxol-5-ylmethyl)amino]-1-oxo-2-propanyl 3-[5-(diethylsulfamoyl)-1-methyl-1H-benzimidazol-2-yl]propanoate | C26H32N4O7S

1-[(1,3-Benzodioxol-5-ylmethyl)amino]-1-oxo-2-propanyl 3-[5-(diethylsulfamoyl)-1-methyl-1H-benzimidazol-2-yl]propanoate

  • Molecular FormulaC26H32N4O7S
  • Average mass544.620 Da
  • Monoisotopic mass544.199158 Da
  • ChemSpider ID22430952

More details:

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

1-[(1,3-Benzodioxol-5-ylmethyl)amino]-1-oxo-2-propanyl 3-[5-(diethylsulfamoyl)-1-methyl-1H-benzimidazol-2-yl]propanoate [ACD/IUPAC Name]
1-[(1,3-Benzodioxol-5-ylmethyl)amino]-1-oxo-2-propanyl-3-[5-(diethylsulfamoyl)-1-methyl-1H-benzimidazol-2-yl]propanoat [German] [ACD/IUPAC Name]
1H-Benzimidazole-2-propanoic acid, 5-[(diethylamino)sulfonyl]-1-methyl-, 2-[(1,3-benzodioxol-5-ylmethyl)amino]-1-methyl-2-oxoethyl ester [ACD/Index Name]
3-[5-(Diéthylsulfamoyl)-1-méthyl-1H-benzimidazol-2-yl]propanoate de 1-[(1,3-benzodioxol-5-ylméthyl)amino]-1-oxo-2-propanyle [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.627
Molar Refractivity: 141.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 148.72
ACD/KOC (pH 5.5): 1226.66
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 158.39
ACD/KOC (pH 7.4): 1306.40
Polar Surface Area: 137 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 51.4±7.0 dyne/cm
Molar Volume: 398.3±7.0 cm3

Click to predict properties on the Chemicalize site


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