ChemSpider 2D Image | 3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-{2-[4-({[2-(1H-imidazol-4-yl)ethyl]carbamoyl}sulfamoyl)phenyl]ethyl}propanamide | C25H26N6O6S

3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-{2-[4-({[2-(1H-imidazol-4-yl)ethyl]carbamoyl}sulfamoyl)phenyl]ethyl}propanamide

  • Molecular FormulaC25H26N6O6S
  • Average mass538.576 Da
  • Monoisotopic mass538.163452 Da
  • ChemSpider ID66105048

More details:

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

2H-Isoindole-2-propanamide, 1,3-dihydro-N-[2-[4-[[[[[2-(1H-imidazol-4-yl)ethyl]amino]carbonyl]amino]sulfonyl]phenyl]ethyl]-1,3-dioxo- [ACD/Index Name]
3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-{2-[4-({[2-(1H-imidazol-4-yl)ethyl]carbamoyl}sulfamoyl)phenyl]ethyl}propanamid [German] [ACD/IUPAC Name]
3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-{2-[4-({[2-(1H-imidazol-4-yl)ethyl]carbamoyl}sulfamoyl)phenyl]ethyl}propanamide [ACD/IUPAC Name]
3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-{2-[4-({[2-(1H-imidazol-4-yl)éthyl]carbamoyl}sulfamoyl)phényl]éthyl}propanamide [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: 1.640
Molar Refractivity: 136.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 0.65
ACD/LogD (pH 5.5): -1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 179 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 68.4±3.0 dyne/cm
Molar Volume: 378.1±3.0 cm3

Click to predict properties on the Chemicalize site


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