ChemSpider 2D Image | 4-({[3-(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]carbamoyl}amino)benzenesulfonic acid | C18H16N4O8S

4-({[3-(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]carbamoyl}amino)benzenesulfonic acid

  • Molecular FormulaC18H16N4O8S
  • Average mass448.407 Da
  • Monoisotopic mass448.068878 Da
  • ChemSpider ID34603232

More details:

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

4-({[3-(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]carbamoyl}amino)benzenesulfonic acid [ACD/IUPAC Name]
4-({[3-(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]carbamoyl}amino)benzolsulfonsäure [German] [ACD/IUPAC Name]
Acide 4-({[3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]carbamoyl}amino)benzènesulfonique [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 4-[[[[3-(1,3-dihydro-5-nitro-1,3-dioxo-2H-isoindol-2-yl)propyl]amino]carbonyl]amino]- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.682
Molar Refractivity: 105.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.66
ACD/LogD (pH 5.5): -3.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 187 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 82.6±3.0 dyne/cm
Molar Volume: 277.6±3.0 cm3

Click to predict properties on the Chemicalize site


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