ChemSpider 2D Image | 1-{2-[(4-Chloro-3-methylphenoxy)methyl]-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-4-morpholinyl}-2-(2-methyl-1,3-thiazol-4-yl)ethanone | C25H33ClN4O4S

1-{2-[(4-Chloro-3-methylphenoxy)methyl]-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-4-morpholinyl}-2-(2-methyl-1,3-thiazol-4-yl)ethanone

  • Molecular FormulaC25H33ClN4O4S
  • Average mass521.072 Da
  • Monoisotopic mass520.191101 Da
  • ChemSpider ID68722212

More details:

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

1-{2-[(4-Chlor-3-methylphenoxy)methyl]-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-4-morpholinyl}-2-(2-methyl-1,3-thiazol-4-yl)ethanon [German] [ACD/IUPAC Name]
1-{2-[(4-Chloro-3-methylphenoxy)methyl]-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-4-morpholinyl}-2-(2-methyl-1,3-thiazol-4-yl)ethanone [ACD/IUPAC Name]
1-{2-[(4-Chloro-3-méthylphénoxy)méthyl]-2-[2-(4-méthyl-1-pipérazinyl)-2-oxoéthyl]-4-morpholinyl}-2-(2-méthyl-1,3-thiazol-4-yl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[2-[(4-chloro-3-methylphenoxy)methyl]-2-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-4-morpholinyl]-2-(2-methyl-4-thiazolyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 713.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 385.3±32.9 °C
Index of Refraction: 1.579
Molar Refractivity: 136.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 3.68
ACD/KOC (pH 5.5): 36.31
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 66.10
ACD/KOC (pH 7.4): 651.46
Polar Surface Area: 103 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 411.5±3.0 cm3

Click to predict properties on the Chemicalize site


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