ChemSpider 2D Image | essramycin | C14H12N4O2

essramycin

  • Molecular FormulaC14H12N4O2
  • Average mass268.271 Da
  • Monoisotopic mass268.096039 Da
  • ChemSpider ID26378391

More details:

Featured data source
Natural Product Updates

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

[1,2,4]Triazolo[1,5-a]pyrimidin-7(4H)-one, 5-methyl-2-(2-oxo-2-phenylethyl)- [ACD/Index Name]
5-Methyl-2-(2-oxo-2-phenylethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-on [German] [ACD/IUPAC Name]
5-Methyl-2-(2-oxo-2-phenylethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-one [ACD/IUPAC Name]
5-Méthyl-2-(2-oxo-2-phényléthyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-one [French] [ACD/IUPAC Name]
essramycin
5-methyl-2-phenacyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

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

24829329 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 560.4±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 292.7±30.7 °C
Index of Refraction: 1.702
Molar Refractivity: 74.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.64
ACD/KOC (pH 5.5): 201.61
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.64
ACD/KOC (pH 7.4): 201.61
Polar Surface Area: 77 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 58.2±7.0 dyne/cm
Molar Volume: 191.1±7.0 cm3

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