ChemSpider 2D Image | (4-{[5-(2,4-Dichlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-1-piperazinyl)(3-nitrophenyl)methanone | C20H17Cl2N5O4

(4-{[5-(2,4-Dichlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-1-piperazinyl)(3-nitrophenyl)methanone

  • Molecular FormulaC20H17Cl2N5O4
  • Average mass462.286 Da
  • Monoisotopic mass461.065765 Da
  • ChemSpider ID22776115

More details:

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

(4-{[5-(2,4-Dichlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-1-piperazinyl)(3-nitrophenyl)methanone [ACD/IUPAC Name]
(4-{[5-(2,4-Dichlorophényl)-1,2,4-oxadiazol-3-yl]méthyl}-1-pipérazinyl)(3-nitrophényl)méthanone [French] [ACD/IUPAC Name]
(4-{[5-(2,4-Dichlorphenyl)-1,2,4-oxadiazol-3-yl]methyl}-1-piperazinyl)(3-nitrophenyl)methanon [German] [ACD/IUPAC Name]
Methanone, [4-[[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-piperazinyl](3-nitrophenyl)- [ACD/Index 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: 645.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.4±34.3 °C
Index of Refraction: 1.644
Molar Refractivity: 113.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 221.40
ACD/KOC (pH 5.5): 1659.89
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 221.78
ACD/KOC (pH 7.4): 1662.68
Polar Surface Area: 108 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 66.1±3.0 dyne/cm
Molar Volume: 314.2±3.0 cm3

Click to predict properties on the Chemicalize site


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