ChemSpider 2D Image | N-{3-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-1,2,4-triazol-5-yl}-2-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide | C17H19N7O7

N-{3-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-1,2,4-triazol-5-yl}-2-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide

  • Molecular FormulaC17H19N7O7
  • Average mass433.375 Da
  • Monoisotopic mass433.134583 Da
  • ChemSpider ID123105511

More details:

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

2H-Isoindole-2-acetamide, N-[3-[bis(2-hydroxyethyl)amino]-1-methyl-1H-1,2,4-triazol-5-yl]-1,3-dihydro-5-nitro-1,3-dioxo- [ACD/Index Name]
N-{3-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-1,2,4-triazol-5-yl}-2-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamid [German] [ACD/IUPAC Name]
N-{3-[Bis(2-hydroxyethyl)amino]-1-methyl-1H-1,2,4-triazol-5-yl}-2-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetamide [ACD/IUPAC Name]
N-{3-[Bis(2-hydroxyéthyl)amino]-1-méthyl-1H-1,2,4-triazol-5-yl}-2-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acétamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.740
Molar Refractivity: 104.0±0.5 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -1.18
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.95
ACD/LogD (pH 7.4): -0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.48
Polar Surface Area: 187 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 81.2±7.0 dyne/cm
Molar Volume: 257.9±7.0 cm3

Click to predict properties on the Chemicalize site


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