ChemSpider 2D Image | 5-[1-Acetyl-5-(4-chlorophenyl)-3-pyrazolidinylidene]-6-hydroxy-3-(3-methoxypropyl)-2,4(3H,5H)-pyrimidinedione | C19H21ClN4O5

5-[1-Acetyl-5-(4-chlorophenyl)-3-pyrazolidinylidene]-6-hydroxy-3-(3-methoxypropyl)-2,4(3H,5H)-pyrimidinedione

  • Molecular FormulaC19H21ClN4O5
  • Average mass420.847 Da
  • Monoisotopic mass420.120056 Da
  • ChemSpider ID35394346

More details:

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

2,4(3H,5H)-Pyrimidinedione, 5-[1-acetyl-5-(4-chlorophenyl)-3-pyrazolidinylidene]-6-hydroxy-3-(3-methoxypropyl)- [ACD/Index Name]
5-[1-Acetyl-5-(4-chlorophenyl)-3-pyrazolidinylidene]-6-hydroxy-3-(3-methoxypropyl)-2,4(3H,5H)-pyrimidinedione [ACD/IUPAC Name]
5-[1-Acétyl-5-(4-chlorophényl)-3-pyrazolidinylidène]-6-hydroxy-3-(3-méthoxypropyl)-2,4(3H,5H)-pyrimidinedione [French] [ACD/IUPAC Name]
5-[1-Acetyl-5-(4-chlorphenyl)-3-pyrazolidinyliden]-6-hydroxy-3-(3-methoxypropyl)-2,4(3H,5H)-pyrimidindion [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 542.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 282.0±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 105.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.59
ACD/LogD (pH 5.5): -2.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 56.6±7.0 dyne/cm
Molar Volume: 287.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement