ChemSpider 2D Image | [2,4-Dioxo-5-(3-perylenylethynyl)-3,4-dihydro-1(2H)-pyrimidinyl]acetic acid | C28H16N2O4

[2,4-Dioxo-5-(3-perylenylethynyl)-3,4-dihydro-1(2H)-pyrimidinyl]acetic acid

  • Molecular FormulaC28H16N2O4
  • Average mass444.438 Da
  • Monoisotopic mass444.110992 Da
  • ChemSpider ID128714055

More details:

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

[2,4-Dioxo-5-(3-perylenylethinyl)-3,4-dihydro-1(2H)-pyrimidinyl]essigsäure [German] [ACD/IUPAC Name]
[2,4-Dioxo-5-(3-perylenylethynyl)-3,4-dihydro-1(2H)-pyrimidinyl]acetic acid [ACD/IUPAC Name]
1(2H)-Pyrimidineacetic acid, 3,4-dihydro-2,4-dioxo-5-[2-(3-perylenyl)ethynyl]- [ACD/Index Name]
Acide [2,4-dioxo-5-(3-pérylényléthynyl)-3,4-dihydro-1(2H)-pyrimidinyl]acétique [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4460854/

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.877
Molar Refractivity: 131.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 223.73
ACD/KOC (pH 5.5): 565.40
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 4.39
ACD/KOC (pH 7.4): 11.11
Polar Surface Area: 87 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 93.4±5.0 dyne/cm
Molar Volume: 287.6±5.0 cm3

Click to predict properties on the Chemicalize site


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