ChemSpider 2D Image | 8-{2-[2-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)ethoxy]phenoxy}-2-indolizinecarbonitrile | C21H16N4O4

8-{2-[2-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)ethoxy]phenoxy}-2-indolizinecarbonitrile

  • Molecular FormulaC21H16N4O4
  • Average mass388.376 Da
  • Monoisotopic mass388.117157 Da
  • ChemSpider ID34557982

More details:

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

2-Indolizinecarbonitrile, 8-[2-[2-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)ethoxy]phenoxy]- [ACD/Index Name]
8-{2-[2-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)ethoxy]phenoxy}-2-indolizincarbonitril [German] [ACD/IUPAC Name]
8-{2-[2-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)ethoxy]phenoxy}-2-indolizinecarbonitrile [ACD/IUPAC Name]
8-{2-[2-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)éthoxy]phénoxy}-2-indolizinecarbonitrile [French] [ACD/IUPAC Name]
8-{2-[2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl)ethoxy]phenoxy}indolizine-2-Carbonitrile
29T
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3342974/

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: 1.664
Molar Refractivity: 106.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 12.27
ACD/KOC (pH 5.5): 209.41
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 12.19
ACD/KOC (pH 7.4): 208.09
Polar Surface Area: 96 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 57.6±7.0 dyne/cm
Molar Volume: 287.0±7.0 cm3

Click to predict properties on the Chemicalize site


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