ChemSpider 2D Image | (4-Cinnamyl-1-piperazinyl)[1-(3,4-dichlorophenyl)-3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazol-5-yl]methanone | C28H27Cl2N5O

(4-Cinnamyl-1-piperazinyl)[1-(3,4-dichlorophenyl)-3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazol-5-yl]methanone

  • Molecular FormulaC28H27Cl2N5O
  • Average mass520.453 Da
  • Monoisotopic mass519.159241 Da
  • ChemSpider ID2838350

More details:

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

(4-Cinnamyl-1-piperazinyl)[1-(3,4-dichlorophenyl)-3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazol-5-yl]methanone [ACD/IUPAC Name]
(4-Cinnamyl-1-pipérazinyl)[1-(3,4-dichlorophényl)-3-(1-méthyl-1H-pyrrol-2-yl)-1H-pyrazol-5-yl]méthanone [French] [ACD/IUPAC Name]
(4-Cinnamyl-1-piperazinyl)[1-(3,4-dichlorphenyl)-3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazol-5-yl]methanon [German] [ACD/IUPAC Name]
Methanone, [1-(3,4-dichlorophenyl)-3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazol-5-yl][4-(3-phenyl-2-propen-1-yl)-1-piperazinyl]- [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: 714.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 385.9±32.9 °C
Index of Refraction: 1.653
Molar Refractivity: 147.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 366.10
ACD/KOC (pH 5.5): 1129.73
ACD/LogD (pH 7.4): 5.11
ACD/BCF (pH 7.4): 4335.44
ACD/KOC (pH 7.4): 13378.73
Polar Surface Area: 46 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 403.1±7.0 cm3

Click to predict properties on the Chemicalize site


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