Found 1 result

Search term: Cc1cc(cnc1N2CCN(CC2)C(=O)c3c(onc3c4ccccc4Cl)C)Br (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | [4-(5-Bromo-3-methyl-2-pyridinyl)-1-piperazinyl][3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone | C21H20BrClN4O2

[4-(5-Bromo-3-methyl-2-pyridinyl)-1-piperazinyl][3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone

  • Molecular FormulaC21H20BrClN4O2
  • Average mass475.766 Da
  • Monoisotopic mass474.045807 Da
  • ChemSpider ID35033400

More details:

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

[4-(5-Brom-3-methyl-2-pyridinyl)-1-piperazinyl][3-(2-chlorphenyl)-5-methyl-1,2-oxazol-4-yl]methanon [German] [ACD/IUPAC Name]
[4-(5-Bromanyl-3-Methyl-Pyridin-2-Yl)piperazin-1-Yl]-[3-(2-Chlorophenyl)-5-Methyl-1,2-Oxazol-4-Yl]methanone
[4-(5-Bromo-3-methyl-2-pyridinyl)-1-piperazinyl][3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone [ACD/IUPAC Name]
[4-(5-Bromo-3-méthyl-2-pyridinyl)-1-pipérazinyl][3-(2-chlorophényl)-5-méthyl-1,2-oxazol-4-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(5-bromo-3-methyl-2-pyridinyl)-1-piperazinyl][3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]- [ACD/Index Name]
0MS

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

Density: 1.5±0.1 g/cm3
Boiling Point: 654.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 349.8±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 115.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 28.30
ACD/KOC (pH 5.5): 211.49
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 205.93
ACD/KOC (pH 7.4): 1538.97
Polar Surface Area: 62 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 325.0±3.0 cm3

Click to predict properties on the Chemicalize site


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