ChemSpider 2D Image | N-[1-(2-Chlorobenzyl)-1H-pyrazol-5-yl]-2-[4-(5-chloro-2-fluorobenzoyl)-1-piperazinyl]acetamide | C23H22Cl2FN5O2

N-[1-(2-Chlorobenzyl)-1H-pyrazol-5-yl]-2-[4-(5-chloro-2-fluorobenzoyl)-1-piperazinyl]acetamide

  • Molecular FormulaC23H22Cl2FN5O2
  • Average mass490.358 Da
  • Monoisotopic mass489.113464 Da
  • ChemSpider ID33566764

More details:

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

1-Piperazineacetamide, 4-(5-chloro-2-fluorobenzoyl)-N-[1-[(2-chlorophenyl)methyl]-1H-pyrazol-5-yl]- [ACD/Index Name]
N-[1-(2-Chlorbenzyl)-1H-pyrazol-5-yl]-2-[4-(5-chlor-2-fluorbenzoyl)-1-piperazinyl]acetamid [German] [ACD/IUPAC Name]
N-[1-(2-Chlorobenzyl)-1H-pyrazol-5-yl]-2-[4-(5-chloro-2-fluorobenzoyl)-1-piperazinyl]acetamide [ACD/IUPAC Name]
N-[1-(2-Chlorobenzyl)-1H-pyrazol-5-yl]-2-[4-(5-chloro-2-fluorobenzoyl)-1-pipérazinyl]acétamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 727.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 393.9±32.9 °C
Index of Refraction: 1.655
Molar Refractivity: 127.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 115.15
ACD/KOC (pH 5.5): 1030.55
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 118.88
ACD/KOC (pH 7.4): 1063.97
Polar Surface Area: 70 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 346.3±7.0 cm3

Click to predict properties on the Chemicalize site


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