ChemSpider 2D Image | (7-Bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate | C21H15BrClN3O4

(7-Bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate

  • Molecular FormulaC21H15BrClN3O4
  • Average mass488.719 Da
  • Monoisotopic mass486.993439 Da
  • ChemSpider ID30600660

More details:

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

(7-Brom-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl-3-[5-(4-chlorphenyl)-1,3-oxazol-2-yl]propanoat [German] [ACD/IUPAC Name]
(7-Bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoate [ACD/IUPAC Name]
2-Oxazolepropanoic acid, 5-(4-chlorophenyl)-, (7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl ester [ACD/Index Name]
3-[5-(4-Chlorophényl)-1,3-oxazol-2-yl]propanoate de (7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)méthyle [French] [ACD/IUPAC 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: 602.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 318.2±34.3 °C
Index of Refraction: 1.681
Molar Refractivity: 115.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 204.39
ACD/KOC (pH 5.5): 1568.29
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 204.39
ACD/KOC (pH 7.4): 1568.33
Polar Surface Area: 85 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 57.2±7.0 dyne/cm
Molar Volume: 306.0±7.0 cm3

Click to predict properties on the Chemicalize site


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