ChemSpider 2D Image | 1-{2-[5-(4-Fluorobenzyl)-1,3-thiazol-2-yl]-3-hydroxy-7-(4-morpholinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}-3-isopropyl-1,3-dimethylurea | C28H31FN6O4S

1-{2-[5-(4-Fluorobenzyl)-1,3-thiazol-2-yl]-3-hydroxy-7-(4-morpholinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}-3-isopropyl-1,3-dimethylurea

  • Molecular FormulaC28H31FN6O4S
  • Average mass566.647 Da
  • Monoisotopic mass566.211182 Da
  • ChemSpider ID25050815

More details:

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

1-{2-[5-(4-Fluorbenzyl)-1,3-thiazol-2-yl]-3-hydroxy-7-(4-morpholinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}-3-isopropyl-1,3-dimethylharnstoff [German] [ACD/IUPAC Name]
1-{2-[5-(4-Fluorobenzyl)-1,3-thiazol-2-yl]-3-hydroxy-7-(4-morpholinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}-3-isopropyl-1,3-dimethylurea [ACD/IUPAC Name]
1-{2-[5-(4-Fluorobenzyl)-1,3-thiazol-2-yl]-3-hydroxy-7-(4-morpholinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}-3-isopropyl-1,3-diméthylurée [French] [ACD/IUPAC Name]
Urea, N-[2-[5-[(4-fluorophenyl)methyl]-2-thiazolyl]-3-hydroxy-7-(4-morpholinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]-N,N'-dimethyl-N'-(1-methylethyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 657.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 351.4±34.3 °C
Index of Refraction: 1.672
Molar Refractivity: 151.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 14.78
ACD/KOC (pH 5.5): 231.36
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 1.82
ACD/KOC (pH 7.4): 28.55
Polar Surface Area: 130 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 404.8±7.0 cm3

Click to predict properties on the Chemicalize site


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