ChemSpider 2D Image | 3-{[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]carbonyl}-7-ethyl-8-methyl-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one | C22H27ClN4O2S

3-{[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]carbonyl}-7-ethyl-8-methyl-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one

  • Molecular FormulaC22H27ClN4O2S
  • Average mass446.993 Da
  • Monoisotopic mass446.154327 Da
  • ChemSpider ID30755283

More details:

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

2H,6H-Pyrimido[2,1-b][1,3]thiazin-6-one, 3-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonyl]-7-ethyl-3,4-dihydro-8-methyl- [ACD/Index Name]
3-{[4-(5-Chlor-2-methylphenyl)-1-piperazinyl]carbonyl}-7-ethyl-8-methyl-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-on [German] [ACD/IUPAC Name]
3-{[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]carbonyl}-7-ethyl-8-methyl-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one [ACD/IUPAC Name]
3-{[4-(5-Chloro-2-méthylphényl)-1-pipérazinyl]carbonyl}-7-éthyl-8-méthyl-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one [French] [ACD/IUPAC Name]
1421506-01-5 [RN]
3-(4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl)-7-ethyl-8-methyl-3,4-dihydropyrimido[2,1-b][1,3]thiazin-6(2H)-one
3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-7-ethyl-8-methyl-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazin-6-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 642.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.4±34.3 °C
Index of Refraction: 1.675
Molar Refractivity: 122.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 195.80
ACD/KOC (pH 5.5): 1520.67
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 195.88
ACD/KOC (pH 7.4): 1521.32
Polar Surface Area: 82 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 325.3±7.0 cm3

Click to predict properties on the Chemicalize site


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